186 KiB
186 KiB
| 1 | Molecule ChEMBL ID | Molecule Name | Molecule Max Phase | Molecular Weight | #RO5 Violations | AlogP | Compound Key | Smiles | Standard Type | Standard Relation | Standard Value | Standard Units | pChEMBL Value | Data Validity Comment | Comment | Uo Units | Ligand Efficiency BEI | Ligand Efficiency LE | Ligand Efficiency LLE | Ligand Efficiency SEI | Potential Duplicate | Assay ChEMBL ID | Assay Description | Assay Type | BAO Format ID | BAO Label | Assay Organism | Assay Tissue ChEMBL ID | Assay Tissue Name | Assay Cell Type | Assay Subcellular Fraction | Assay Parameters | Assay Variant Accession | Assay Variant Mutation | Target ChEMBL ID | Target Name | Target Organism | Target Type | Document ChEMBL ID | Source ID | Source Description | Document Journal | Document Year | Cell ChEMBL ID | Properties | Action Type | Standard Text Value |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2 | CHEMBL5184894 | None | 916.22 | 3 | 5.74 | C-3 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCCC1 | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129405 | Antibacterial activity against Streptococcus dysgalactiae incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Streptococcus dysgalactiae | None | None | None | None | CHEMBL1075341 | Streptococcus dysgalactiae | Streptococcus dysgalactiae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 3 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129417 | Antibacterial activity against Escherichia coli ATCC 25922 at pH 7.6 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 4 | CHEMBL5179714 | None | 976.02 | 3 | 5.80 | A-7 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(Br)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 5 | CHEMBL5190735 | None | 904.16 | 2 | 3.93 | C-4 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCC(O)CC1 | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 6 | CHEMBL5199514 | None | 897.13 | 3 | 5.03 | 1-23(A-2) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccccc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129408 | Antibacterial activity against Pseudomonas aeruginosa LTP-3 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Pseudomonas aeruginosa | None | None | None | None | CHEMBL348 | Pseudomonas aeruginosa | Pseudomonas aeruginosa | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 7 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129424 | Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 6.8 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 8 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129426 | Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 7.2 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 9 | CHEMBL5191683 | None | 916.22 | 3 | 5.45 | C-5 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CC(C)CC(C)C1 | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 10 | CHEMBL5206160 | None | 821.03 | 2 | 3.46 | 1-22(A-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129407 | Antibacterial activity against Escherichia coli incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 11 | CHEMBL5189248 | None | 848.10 | 2 | 4.03 | 1-25(C-6) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)C | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129399 | Antibacterial activity against Staphylococcus aureus incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 12 | CHEMBL5204817 | None | 899.10 | 2 | 3.82 | A-22 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cncnc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 13 | CHEMBL5188035 | None | 925.18 | 3 | 5.60 | A-14 | CCc1ccc(CN(CC[C@H]2C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](CO)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)Cc2cn(-c3cnc4ccccc4c3)nn2)cc1 | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 14 | CHEMBL5191707 | None | 904.21 | 3 | 5.59 | C-8 | CCCN(CCC)C[C@H]1/C=C(C)/C=C/C(=O)[C@H](C)C[C@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O)CC(=O)O[C@@H]1CC | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 15 | CHEMBL5196619 | None | 898.11 | 2 | 4.43 | A-15 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccncc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 16 | CHEMBL5199514 | None | 897.13 | 3 | 5.03 | 1-23(A-2) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccccc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 17 | CHEMBL5191707 | None | 904.21 | 3 | 5.59 | C-8 | CCCN(CCC)C[C@H]1/C=C(C)/C=C/C(=O)[C@H](C)C[C@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O)CC(=O)O[C@@H]1CC | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 18 | CHEMBL5189248 | None | 848.10 | 2 | 4.03 | 1-25(C-6) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)C | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129407 | Antibacterial activity against Escherichia coli incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 19 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 449.33 | 0 | CHEMBL5129457 | Genotoxicity in Salmonella typhimurium TA102 assessed as number of revertants at 1x10^-3 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 465.33 +/- 18.04 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 20 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 456.67 | 0 | CHEMBL5129458 | Genotoxicity in Salmonella typhimurium TA102 assessed as number of revertants at 2x10^-4 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 465.33 +/- 18.04 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 21 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129390 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs using 10^5 CFU/ml bacterial inoculum by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 22 | CHEMBL5184894 | None | 916.22 | 3 | 5.74 | C-3 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCCC1 | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 23 | CHEMBL5204486 | None | 903.16 | 3 | 5.10 | A-18 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cn(-c3cnc4ccccc4c3)nn2)Cc2cccs2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 24 | CHEMBL5202876 | None | 876.15 | 2 | 4.81 | C-11 | CCCN(C)C[C@H]1/C=C(C)/C=C/C(=O)[C@H](C)C[C@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O)CC(=O)O[C@@H]1CC | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 25 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | Non-Toxic | 0 | CHEMBL5129370 | Toxicity in Kunming mouse infected with Staphylococcus aureus ATCC 25923 assessed as normal alveolar size and morphology at 20 to 40 mg/kg, iv measured after 1 hr by hematoxylin and eosin staining based microscopic analysis | T | BAO_0000218 | organism-based format | Mus musculus | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Dose_Lower = 20.0 mg/kg | Dose_Upper = 40.0 mg/kg | Route: IV | TIME = 1.0 hr | |||||||||||||||||
| 26 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.125 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129385 | Antibacterial activity against Staphylococcus aureus ATCC 29213 incubated for 16 to 20 hrs using 10^4 CFU/ml bacterial inoculum by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 27 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 223.33 | 0 | CHEMBL5129443 | Genotoxicity in Salmonella typhimurium TA100 assessed as number of revertants at 2x10^-4 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 221.67 +/- 15.57 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 28 | CHEMBL5195351 | None | 965.12 | 3 | 6.05 | A-6 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(C(F)(F)F)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 29 | CHEMBL5208094 | None | 930.93 | 2 | 4.91 | B-1 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CI | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 30 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 31 | CHEMBL5184894 | None | 916.22 | 3 | 5.74 | C-3 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCCC1 | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 32 | CHEMBL5180308 | None | 876.15 | 2 | 4.81 | C-7 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(CC)CC | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129406 | Antibacterial activity against Staphylococcus chromogenes incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus chromogenes | None | None | None | None | CHEMBL5209647 | Staphylococcus chromogenes | Staphylococcus chromogenes | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 33 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129423 | Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 6.6 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 34 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129438 | Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 8.6 incubated for 16 to 20 hrs in absence of foetal bovine serum by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 35 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 162.0 | 0 | CHEMBL5129449 | Genotoxicity in Salmonella typhimurium TA100 assessed as number of revertants at 4x10^-5 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 204.33 +/- 8.14 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 36 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 449.33 | 0 | CHEMBL5129453 | Genotoxicity in Salmonella typhimurium TA102 assessed as number of revertants at 2x10^-4 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 386.67 +/- 23.44 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 37 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 6.33 | 0 | CHEMBL5129464 | Genotoxicity in Salmonella typhimurium TA1535 assessed as number of revertants at 4x10^-5 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 14.33 +/- 0.58 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 38 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 11.0 | 0 | CHEMBL5129466 | Genotoxicity in Salmonella typhimurium TA1535 assessed as number of revertants at 1x10^-3 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 15.33 +/- 2.52 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 39 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 15.67 | 0 | CHEMBL5129476 | Genotoxicity in Salmonella typhimurium TA1537 assessed as number of revertants at 1x10^-3 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 20 +/- 5 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 40 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129399 | Antibacterial activity against Staphylococcus aureus incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 41 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129408 | Antibacterial activity against Pseudomonas aeruginosa LTP-3 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Pseudomonas aeruginosa | None | None | None | None | CHEMBL348 | Pseudomonas aeruginosa | Pseudomonas aeruginosa | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 42 | CHEMBL5206160 | None | 821.03 | 2 | 3.46 | 1-22(A-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 43 | CHEMBL5204817 | None | 899.10 | 2 | 3.82 | A-22 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cncnc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 44 | CHEMBL5209459 | None | 932.26 | 3 | 6.37 | C-9 | CCCCN(CCCC)C[C@H]1/C=C(C)/C=C/C(=O)[C@H](C)C[C@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O)CC(=O)O[C@@H]1CC | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 45 | CHEMBL5176998 | None | 911.15 | 3 | 5.34 | A-13 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(C)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 46 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129428 | Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 7.6 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 47 | CHEMBL5169799 | None | 888.16 | 2 | 4.96 | 1-24(C-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCC1 | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 48 | CHEMBL5199384 | None | 887.09 | 2 | 4.63 | A-4 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cn(-c3cnc4ccccc4c3)nn2)Cc2ccco2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 49 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129392 | Antibacterial activity against Escherichia coli ATCC 25922 at pH 7 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 50 | CHEMBL5190735 | None | 904.16 | 2 | 3.93 | C-4 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCC(O)CC1 | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 51 | CHEMBL5180308 | None | 876.15 | 2 | 4.81 | C-7 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(CC)CC | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129399 | Antibacterial activity against Staphylococcus aureus incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 52 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 449.33 | 0 | CHEMBL5129461 | Genotoxicity in Salmonella typhimurium TA102 assessed as number of revertants at 1.6x10^-6 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 465.33 +/- 18.04 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 53 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 12.67 | 0 | CHEMBL5129467 | Genotoxicity in Salmonella typhimurium TA1535 assessed as number of revertants at 2x10^-4 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 15.33 +/- 2.52 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 54 | CHEMBL5172132 | None | 917.11 | 2 | 4.12 | A-17 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cn(-c3cnc4ccccc4c3)nn2)Cc2ccc(CO)o2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 55 | CHEMBL5172132 | None | 917.11 | 2 | 4.12 | A-17 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cn(-c3cnc4ccccc4c3)nn2)Cc2ccc(CO)o2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 56 | CHEMBL5189248 | None | 848.10 | 2 | 4.03 | 1-25(C-6) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)C | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129404 | Antibacterial activity against Enterococcus faecium incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Enterococcus faecium | None | None | None | None | CHEMBL357 | Enterococcus faecium | Enterococcus faecium | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 57 | CHEMBL5169799 | None | 888.16 | 2 | 4.96 | 1-24(C-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCC1 | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129406 | Antibacterial activity against Staphylococcus chromogenes incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus chromogenes | None | None | None | None | CHEMBL5209647 | Staphylococcus chromogenes | Staphylococcus chromogenes | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 58 | CHEMBL5199514 | None | 897.13 | 3 | 5.03 | 1-23(A-2) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccccc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 59 | CHEMBL5191707 | None | 904.21 | 3 | 5.59 | C-8 | CCCN(CCC)C[C@H]1/C=C(C)/C=C/C(=O)[C@H](C)C[C@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O)CC(=O)O[C@@H]1CC | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 60 | CHEMBL5196619 | None | 898.11 | 2 | 4.43 | A-15 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccncc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 61 | CHEMBL5177785 | None | 876.15 | 2 | 4.81 | C-12 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)C(C)C | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 62 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 62.33 | 0 | CHEMBL5129366 | Genotoxicity in Salmonella typhimurium TA98 assessed as number of revertants at 4x10^-5 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 57.33 +/- 3.06 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 63 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | Non-Toxic | 0 | CHEMBL5129375 | Toxicity in Kunming mouse infected with Staphylococcus aureus ATCC 25923 assessed as appearance of pink and spongy lungs at 20 to 40 mg/kg, iv measured after 1 hr by hematoxylin and eosin staining based microscopic analysis | T | BAO_0000218 | organism-based format | Mus musculus | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Dose_Lower = 20.0 mg/kg | Dose_Upper = 40.0 mg/kg | Route: IV | TIME = 1.0 hr | |||||||||||||||||
| 64 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Inhibition | '=' | 32.12 | % | UO_0000187 | 0 | CHEMBL5129379 | Inhibition of protein synthesis in Escherichia coli ATCC 25922 assessed as reduction in protein content at 4 mg/ml measured upto 12 hrs by microporous enzyme labeling method relative to control | F | BAO_0000019 | assay format | Escherichia coli | None | None | None | None | CHEMBL612545 | Unchecked | UNCHECKED | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Dose = 4.0 mg/ml | TIME <= 12.0 hr | ||||||||||||||
| 65 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | Active | 0 | CHEMBL5129381 | Induction of drug resistance in Escherichia coli ATCC 25922 assessed as increase in MIC measured after 30 passages by broth microdilution method | F | BAO_0000019 | assay format | Escherichia coli | None | None | None | None | CHEMBL612545 | Unchecked | UNCHECKED | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | ||||||||||||||||||
| 66 | CHEMBL5208094 | None | 930.93 | 2 | 4.91 | B-1 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CI | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 67 | CHEMBL5172132 | None | 917.11 | 2 | 4.12 | A-17 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cn(-c3cnc4ccccc4c3)nn2)Cc2ccc(CO)o2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 68 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 40.33 | 0 | CHEMBL5129362 | Genotoxicity in Salmonella typhimurium TA98 assessed as number of revertants at 1x10^-3 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 43.67+/- 7.1 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 69 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129420 | Antibacterial activity against Escherichia coli ATCC 25922 at pH 8.2 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 70 | CHEMBL5179450 | None | 862.13 | 2 | 4.42 | C-10 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)CC | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 71 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 418.0 | 0 | CHEMBL5129452 | Genotoxicity in Salmonella typhimurium TA102 assessed as number of revertants at 1x10^-3 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 386.67 +/- 23.44 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 72 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129406 | Antibacterial activity against Staphylococcus chromogenes incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus chromogenes | None | None | None | None | CHEMBL5209647 | Staphylococcus chromogenes | Staphylococcus chromogenes | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 73 | CHEMBL5190735 | None | 904.16 | 2 | 3.93 | C-4 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCC(O)CC1 | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 74 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.125 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129412 | Antibacterial activity against Staphylococcus aureus ATCC 29213 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 75 | CHEMBL5191683 | None | 916.22 | 3 | 5.45 | C-5 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CC(C)CC(C)C1 | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 76 | CHEMBL5172132 | None | 917.11 | 2 | 4.12 | A-17 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cn(-c3cnc4ccccc4c3)nn2)Cc2ccc(CO)o2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 77 | CHEMBL5204817 | None | 899.10 | 2 | 3.82 | A-22 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cncnc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 78 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.125 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 79 | CHEMBL5180308 | None | 876.15 | 2 | 4.81 | C-7 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(CC)CC | MIC | '=' | 0.125 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 80 | CHEMBL5209459 | None | 932.26 | 3 | 6.37 | C-9 | CCCCN(CCCC)C[C@H]1/C=C(C)/C=C/C(=O)[C@H](C)C[C@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O)CC(=O)O[C@@H]1CC | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 81 | CHEMBL5177785 | None | 876.15 | 2 | 4.81 | C-12 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)C(C)C | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 82 | CHEMBL5174513 | None | 904.14 | 2 | 4.49 | A-21 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cn(-c3cnc4ccccc4c3)nn2)Cc2cncs2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 83 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 84 | CHEMBL5179450 | None | 862.13 | 2 | 4.42 | C-10 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)CC | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 85 | CHEMBL5184894 | None | 916.22 | 3 | 5.74 | C-3 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCCC1 | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129407 | Antibacterial activity against Escherichia coli incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 86 | CHEMBL5180308 | None | 876.15 | 2 | 4.81 | C-7 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(CC)CC | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129408 | Antibacterial activity against Pseudomonas aeruginosa LTP-3 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Pseudomonas aeruginosa | None | None | None | None | CHEMBL348 | Pseudomonas aeruginosa | Pseudomonas aeruginosa | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 87 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129440 | Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 8.6 incubated for 16 to 20 hrs in presence of 10% foetal bovine serum by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 88 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 425.33 | 0 | CHEMBL5129455 | Genotoxicity in Salmonella typhimurium TA102 assessed as number of revertants at 8x10^-6 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 386.67 +/- 23.44 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 89 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129382 | Antibacterial activity against Staphylococcus aureus ATCC 29213 incubated for 16 to 20 hrs using 10^7 CFU/ml bacterial inoculum by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 90 | CHEMBL5169799 | None | 888.16 | 2 | 4.96 | 1-24(C-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCC1 | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 91 | CHEMBL5209459 | None | 932.26 | 3 | 6.37 | C-9 | CCCCN(CCCC)C[C@H]1/C=C(C)/C=C/C(=O)[C@H](C)C[C@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O)CC(=O)O[C@@H]1CC | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 92 | CHEMBL5179450 | None | 862.13 | 2 | 4.42 | C-10 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)CC | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 93 | CHEMBL5206487 | None | 940.20 | 3 | 5.10 | A-5 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(N(C)C)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 94 | CHEMBL5176998 | None | 911.15 | 3 | 5.34 | A-13 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(C)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 95 | CHEMBL5189248 | None | 848.10 | 2 | 4.03 | 1-25(C-6) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)C | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 96 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 15.0 | 0 | CHEMBL5129480 | Genotoxicity in Salmonella typhimurium TA1537 assessed as number of revertants at 1.6x10^-6 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 20 +/- 5 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 97 | CHEMBL5189248 | None | 848.10 | 2 | 4.03 | 1-25(C-6) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)C | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129406 | Antibacterial activity against Staphylococcus chromogenes incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus chromogenes | None | None | None | None | CHEMBL5209647 | Staphylococcus chromogenes | Staphylococcus chromogenes | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 98 | CHEMBL5169799 | None | 888.16 | 2 | 4.96 | 1-24(C-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCC1 | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129408 | Antibacterial activity against Pseudomonas aeruginosa LTP-3 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Pseudomonas aeruginosa | None | None | None | None | CHEMBL348 | Pseudomonas aeruginosa | Pseudomonas aeruginosa | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 99 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 13.0 | 0 | CHEMBL5129465 | Genotoxicity in Salmonella typhimurium TA1535 assessed as number of revertants at 8x10^-6 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 14.33 +/- 0.58 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 100 | CHEMBL5204817 | None | 899.10 | 2 | 3.82 | A-22 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cncnc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 101 | CHEMBL5206487 | None | 940.20 | 3 | 5.10 | A-5 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(N(C)C)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 102 | CHEMBL5208094 | None | 930.93 | 2 | 4.91 | B-1 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CI | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 103 | CHEMBL5191683 | None | 916.22 | 3 | 5.45 | C-5 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CC(C)CC(C)C1 | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 104 | CHEMBL5179450 | None | 862.13 | 2 | 4.42 | C-10 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)CC | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 105 | CHEMBL5176998 | None | 911.15 | 3 | 5.34 | A-13 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(C)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 106 | CHEMBL5204486 | None | 903.16 | 3 | 5.10 | A-18 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cn(-c3cnc4ccccc4c3)nn2)Cc2cccs2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 107 | CHEMBL5174513 | None | 904.14 | 2 | 4.49 | A-21 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cn(-c3cnc4ccccc4c3)nn2)Cc2cncs2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 108 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | Non-Toxic | 0 | CHEMBL5129371 | Toxicity in Kunming mouse infected with Staphylococcus aureus ATCC 25923 assessed as intact lung tissue structure at 20 to 40 mg/kg, iv measured after 1 hr by hematoxylin and eosin staining based microscopic analysis | T | BAO_0000218 | organism-based format | Mus musculus | CHEMBL3638235 | Lung | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Dose_Lower = 20.0 mg/kg | Dose_Upper = 40.0 mg/kg | Route: IV | TIME = 1.0 hr | |||||||||||||||||
| 109 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | Active | 0 | CHEMBL5129376 | Antibacterial activity against Staphylococcus aureus ATCC 25923 infected in kunming mouse assessed as reduction in viable pathogens at 20 mg/kg, iv measured after 1 hr | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | DOSE = 20.0 mg.kg-1 | Route: IV | TIME = 1.0 hr | ||||||||||||||||
| 110 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129387 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs using 10^6 CFU/ml bacterial inoculum by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 111 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129389 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs using 10^4 CFU/ml bacterial inoculum by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 112 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129398 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs in absence of foetal bovine serum by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 113 | CHEMBL5206160 | None | 821.03 | 2 | 3.46 | 1-22(A-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 114 | CHEMBL5199384 | None | 887.09 | 2 | 4.63 | A-4 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cn(-c3cnc4ccccc4c3)nn2)Cc2ccco2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 0.125 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 115 | CHEMBL5174513 | None | 904.14 | 2 | 4.49 | A-21 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cn(-c3cnc4ccccc4c3)nn2)Cc2cncs2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 116 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 117 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 44.67 | 0 | CHEMBL5129361 | Genotoxicity in Salmonella typhimurium TA98 assessed as number of revertants at 4x10^-5 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 43.67+/- 7.1 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 118 | CHEMBL5199514 | None | 897.13 | 3 | 5.03 | 1-23(A-2) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccccc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129404 | Antibacterial activity against Enterococcus faecium incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Enterococcus faecium | None | None | None | None | CHEMBL357 | Enterococcus faecium | Enterococcus faecium | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 119 | CHEMBL5206160 | None | 821.03 | 2 | 3.46 | 1-22(A-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129408 | Antibacterial activity against Pseudomonas aeruginosa LTP-3 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Pseudomonas aeruginosa | None | None | None | None | CHEMBL348 | Pseudomonas aeruginosa | Pseudomonas aeruginosa | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 120 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129416 | Antibacterial activity against Escherichia coli ATCC 25922 at pH 7.4 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 121 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '<=' | 0.0625 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129433 | Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 8.6 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 122 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 15.0 | 0 | CHEMBL5129468 | Genotoxicity in Salmonella typhimurium TA1535 assessed as number of revertants at 4x10^-5 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 15.33 +/- 2.52 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 123 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 16.33 | 0 | CHEMBL5129470 | Genotoxicity in Salmonella typhimurium TA1535 assessed as number of revertants at 1.6x10^-6 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 15.33 +/- 2.52 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 124 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 14.67 | 0 | CHEMBL5129478 | Genotoxicity in Salmonella typhimurium TA1537 assessed as number of revertants at 4x10^-5 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 20 +/- 5 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 125 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 6.67 | 0 | CHEMBL5129481 | Genotoxicity in Salmonella typhimurium TA1535 assessed as number of revertants at 1.6x10^-6 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 14.33 +/- 0.58 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 126 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 44.33 | 0 | CHEMBL5129363 | Genotoxicity in Salmonella typhimurium TA98 assessed as number of revertants at 2x10^-4 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 43.67+/- 7.1 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 127 | CHEMBL5184894 | None | 916.22 | 3 | 5.74 | C-3 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCCC1 | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129404 | Antibacterial activity against Enterococcus faecium incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Enterococcus faecium | None | None | None | None | CHEMBL357 | Enterococcus faecium | Enterococcus faecium | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 128 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129407 | Antibacterial activity against Escherichia coli incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 129 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129419 | Antibacterial activity against Escherichia coli ATCC 25922 at pH 8 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 130 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 15.33 | 0 | CHEMBL5129471 | Genotoxicity in Salmonella typhimurium TA1537 assessed as number of revertants at 1x10^-3 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 22.67 +/- 2.52 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 131 | CHEMBL5176998 | None | 911.15 | 3 | 5.34 | A-13 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(C)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 132 | CHEMBL5204486 | None | 903.16 | 3 | 5.10 | A-18 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cn(-c3cnc4ccccc4c3)nn2)Cc2cccs2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 133 | CHEMBL5189248 | None | 848.10 | 2 | 4.03 | 1-25(C-6) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)C | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 134 | CHEMBL5208094 | None | 930.93 | 2 | 4.91 | B-1 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CI | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 135 | CHEMBL5206160 | None | 821.03 | 2 | 3.46 | 1-22(A-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129405 | Antibacterial activity against Streptococcus dysgalactiae incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Streptococcus dysgalactiae | None | None | None | None | CHEMBL1075341 | Streptococcus dysgalactiae | Streptococcus dysgalactiae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 136 | CHEMBL5180308 | None | 876.15 | 2 | 4.81 | C-7 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(CC)CC | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129407 | Antibacterial activity against Escherichia coli incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 137 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 15.67 | 0 | CHEMBL5129472 | Genotoxicity in Salmonella typhimurium TA1537 assessed as number of revertants at 2x10^-4 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 22.67 +/- 2.52 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 138 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129434 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs in presence of 5% foetal bovine serum by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 139 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 61.33 | 0 | CHEMBL5129367 | Genotoxicity in Salmonella typhimurium TA98 assessed as number of revertants at 2x10^-4 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 57.33 +/- 3.06 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 140 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | Non-Toxic | 0 | CHEMBL5129368 | Toxicity in Kunming mouse infected with Staphylococcus aureus ATCC 25923 assessed as normal alveolar wall thickness at 20 to 40 mg/kg, iv measured after 1 hr by hematoxylin and eosin staining based microscopic analysis | T | BAO_0000218 | organism-based format | Mus musculus | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Dose_Lower = 20.0 mg/kg | Dose_Upper = 40.0 mg/kg | Route: IV | TIME = 1.0 hr | |||||||||||||||||
| 141 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129425 | Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 7 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 142 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 220.67 | 0 | CHEMBL5129448 | Genotoxicity in Salmonella typhimurium TA100 assessed as number of revertants at 2x10^-4 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 204.33 +/- 8.14 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 143 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 13.67 | 0 | CHEMBL5129469 | Genotoxicity in Salmonella typhimurium TA1535 assessed as number of revertants at 8x10^-6 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 15.33 +/- 2.52 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 144 | CHEMBL5179714 | None | 976.02 | 3 | 5.80 | A-7 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(Br)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 145 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 15.0 | 0 | CHEMBL5129477 | Genotoxicity in Salmonella typhimurium TA1537 assessed as number of revertants at 2x10^-4 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 20 +/- 5 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 146 | CHEMBL5180308 | None | 876.15 | 2 | 4.81 | C-7 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(CC)CC | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129404 | Antibacterial activity against Enterococcus faecium incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Enterococcus faecium | None | None | None | None | CHEMBL357 | Enterococcus faecium | Enterococcus faecium | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 147 | CHEMBL5202876 | None | 876.15 | 2 | 4.81 | C-11 | CCCN(C)C[C@H]1/C=C(C)/C=C/C(=O)[C@H](C)C[C@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O)CC(=O)O[C@@H]1CC | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 148 | CHEMBL5206487 | None | 940.20 | 3 | 5.10 | A-5 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(N(C)C)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 149 | CHEMBL5199384 | None | 887.09 | 2 | 4.63 | A-4 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cn(-c3cnc4ccccc4c3)nn2)Cc2ccco2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 150 | CHEMBL5196619 | None | 898.11 | 2 | 4.43 | A-15 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccncc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 151 | CHEMBL5177785 | None | 876.15 | 2 | 4.81 | C-12 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)C(C)C | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 152 | CHEMBL5199514 | None | 897.13 | 3 | 5.03 | 1-23(A-2) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccccc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129405 | Antibacterial activity against Streptococcus dysgalactiae incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Streptococcus dysgalactiae | None | None | None | None | CHEMBL1075341 | Streptococcus dysgalactiae | Streptococcus dysgalactiae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 153 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129421 | Antibacterial activity against Escherichia coli ATCC 25922 at pH 8.4 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 154 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '<=' | 0.0625 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129431 | Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 8.2 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 155 | CHEMBL5206160 | None | 821.03 | 2 | 3.46 | 1-22(A-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 156 | CHEMBL5174513 | None | 904.14 | 2 | 4.49 | A-21 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cn(-c3cnc4ccccc4c3)nn2)Cc2cncs2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 157 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 201.67 | 0 | CHEMBL5129444 | Genotoxicity in Salmonella typhimurium TA100 assessed as number of revertants at 4x10^-5 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 221.67 +/- 15.57 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 158 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 21.33 | 0 | CHEMBL5129474 | Genotoxicity in Salmonella typhimurium TA1537 assessed as number of revertants at 8x10^-6 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 22.67 +/- 2.52 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 159 | CHEMBL5199514 | None | 897.13 | 3 | 5.03 | 1-23(A-2) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccccc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129399 | Antibacterial activity against Staphylococcus aureus incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 160 | CHEMBL5184894 | None | 916.22 | 3 | 5.74 | C-3 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCCC1 | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129399 | Antibacterial activity against Staphylococcus aureus incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 161 | CHEMBL5190735 | None | 904.16 | 2 | 3.93 | C-4 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCC(O)CC1 | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 162 | CHEMBL5202876 | None | 876.15 | 2 | 4.81 | C-11 | CCCN(C)C[C@H]1/C=C(C)/C=C/C(=O)[C@H](C)C[C@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O)CC(=O)O[C@@H]1CC | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 163 | CHEMBL5195351 | None | 965.12 | 3 | 6.05 | A-6 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(C(F)(F)F)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 164 | CHEMBL5169799 | None | 888.16 | 2 | 4.96 | 1-24(C-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCC1 | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129405 | Antibacterial activity against Streptococcus dysgalactiae incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Streptococcus dysgalactiae | None | None | None | None | CHEMBL1075341 | Streptococcus dysgalactiae | Streptococcus dysgalactiae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 165 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 162.67 | 0 | CHEMBL5129451 | Genotoxicity in Salmonella typhimurium TA100 assessed as number of revertants at 1.6x10^-6 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 204.33 +/- 8.14 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 166 | CHEMBL5184894 | None | 916.22 | 3 | 5.74 | C-3 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCCC1 | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129406 | Antibacterial activity against Staphylococcus chromogenes incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus chromogenes | None | None | None | None | CHEMBL5209647 | Staphylococcus chromogenes | Staphylococcus chromogenes | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 167 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 60.33 | 0 | CHEMBL5129396 | Genotoxicity in Salmonella typhimurium TA98 assessed as number of revertants at 1x10^-3 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 57.33 +/- 3.06 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 168 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '<=' | 0.0625 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129430 | Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 8 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 169 | CHEMBL5206160 | None | 821.03 | 2 | 3.46 | 1-22(A-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129399 | Antibacterial activity against Staphylococcus aureus incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 170 | CHEMBL5179714 | None | 976.02 | 3 | 5.80 | A-7 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(Br)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 0.125 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 171 | CHEMBL5199514 | None | 897.13 | 3 | 5.03 | 1-23(A-2) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccccc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 172 | CHEMBL5179714 | None | 976.02 | 3 | 5.80 | A-7 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(Br)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 173 | CHEMBL5184894 | None | 916.22 | 3 | 5.74 | C-3 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCCC1 | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 174 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | Non-Toxic | 0 | CHEMBL5129372 | Toxicity in Kunming mouse infected with Staphylococcus aureus ATCC 25923 assessed as hyperelastic lung tissue at 20 to 40 mg/kg, iv measured after 1 hr by hematoxylin and eosin staining based microscopic analysis | T | BAO_0000218 | organism-based format | Mus musculus | CHEMBL3638235 | Lung | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Dose_Lower = 20.0 mg/kg | Dose_Upper = 40.0 mg/kg | Route: IV | TIME = 1.0 hr | |||||||||||||||||
| 175 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | Active | 0 | CHEMBL5129373 | Antibacterial activity against Staphylococcus aureus ATCC 25923 infected in kunming mouse assessed as reduction in lung congestion at 20 to 40 mg/kg, iv measured after 1 hr by hematoxylin and eosin staining based microscopic analysis | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Dose_Lower = 20.0 mg/kg | Dose_Upper = 40.0 mg/kg | Route: IV | TIME = 1.0 hr | ||||||||||||||||
| 176 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | Active | 0 | CHEMBL5129378 | Antibacterial activity against Staphylococcus aureus ATCC 25923 infected in kunming mouse assessed as reduction in bacterial load at 20 to 40 mg/kg, iv measured after 1 hr | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Dose_Lower = 20.0 mg/kg | Dose_Upper = 40.0 mg/kg | Route: IV | TIME = 1.0 hr | ||||||||||||||||
| 177 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129395 | Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 8.6 incubated for 16 to 20 hrs in presence of 50% foetal bovine serum by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 178 | CHEMBL5196619 | None | 898.11 | 2 | 4.43 | A-15 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccncc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 0.125 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 179 | CHEMBL5206160 | None | 821.03 | 2 | 3.46 | 1-22(A-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 180 | CHEMBL5169799 | None | 888.16 | 2 | 4.96 | 1-24(C-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCC1 | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 181 | CHEMBL5202876 | None | 876.15 | 2 | 4.81 | C-11 | CCCN(C)C[C@H]1/C=C(C)/C=C/C(=O)[C@H](C)C[C@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O)CC(=O)O[C@@H]1CC | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 182 | CHEMBL5206160 | None | 821.03 | 2 | 3.46 | 1-22(A-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 0.125 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129406 | Antibacterial activity against Staphylococcus chromogenes incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus chromogenes | None | None | None | None | CHEMBL5209647 | Staphylococcus chromogenes | Staphylococcus chromogenes | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 183 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129427 | Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 7.4 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 184 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 433.33 | 0 | CHEMBL5129459 | Genotoxicity in Salmonella typhimurium TA102 assessed as number of revertants at 4x10^-5 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 465.33 +/- 18.04 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 185 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129418 | Antibacterial activity against Escherichia coli ATCC 25922 at pH 7.8 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 186 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 174.67 | 0 | CHEMBL5129447 | Genotoxicity in Salmonella typhimurium TA100 assessed as number of revertants at 1x10^-3 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 204.33 +/- 8.14 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 187 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129404 | Antibacterial activity against Enterococcus faecium incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Enterococcus faecium | None | None | None | None | CHEMBL357 | Enterococcus faecium | Enterococcus faecium | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 188 | CHEMBL5199514 | None | 897.13 | 3 | 5.03 | 1-23(A-2) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccccc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129407 | Antibacterial activity against Escherichia coli incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 189 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129435 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs in presence of 10% foetal bovine serum by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 190 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129394 | Antibacterial activity against Escherichia coli ATCC 25922 at pH 6.6 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 191 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129397 | Antibacterial activity against Escherichia coli ATCC 25922 at pH 7.2 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 192 | CHEMBL5169799 | None | 888.16 | 2 | 4.96 | 1-24(C-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCC1 | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129399 | Antibacterial activity against Staphylococcus aureus incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 193 | CHEMBL5195351 | None | 965.12 | 3 | 6.05 | A-6 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(C(F)(F)F)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 194 | CHEMBL5188035 | None | 925.18 | 3 | 5.60 | A-14 | CCc1ccc(CN(CC[C@H]2C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](CO)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)Cc2cn(-c3cnc4ccccc4c3)nn2)cc1 | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 195 | CHEMBL5199384 | None | 887.09 | 2 | 4.63 | A-4 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cn(-c3cnc4ccccc4c3)nn2)Cc2ccco2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 196 | CHEMBL5206487 | None | 940.20 | 3 | 5.10 | A-5 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(N(C)C)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 197 | CHEMBL5177785 | None | 876.15 | 2 | 4.81 | C-12 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)C(C)C | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 198 | CHEMBL5199514 | None | 897.13 | 3 | 5.03 | 1-23(A-2) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccccc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129406 | Antibacterial activity against Staphylococcus chromogenes incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus chromogenes | None | None | None | None | CHEMBL5209647 | Staphylococcus chromogenes | Staphylococcus chromogenes | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 199 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Ratio | '=' | 2.0 | 0 | CHEMBL5129413 | Ratio of MBC to MIC for Staphylococcus aureus ATCC 29213 | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | ||||||||||||||||
| 200 | CHEMBL5180308 | None | 876.15 | 2 | 4.81 | C-7 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(CC)CC | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 201 | CHEMBL5180308 | None | 876.15 | 2 | 4.81 | C-7 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(CC)CC | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129405 | Antibacterial activity against Streptococcus dysgalactiae incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Streptococcus dysgalactiae | None | None | None | None | CHEMBL1075341 | Streptococcus dysgalactiae | Streptococcus dysgalactiae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 202 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129422 | Antibacterial activity against Escherichia coli ATCC 25922 at pH 8.6 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 203 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '<=' | 0.0625 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129429 | Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 7.8 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 204 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129441 | Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 8.6 incubated for 16 to 20 hrs in presence of 25% foetal bovine serum by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 205 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 466.67 | 0 | CHEMBL5129460 | Genotoxicity in Salmonella typhimurium TA102 assessed as number of revertants at 8x10^-6 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 465.33 +/- 18.04 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 206 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 5.0 | 0 | CHEMBL5129462 | Genotoxicity in Salmonella typhimurium TA1535 assessed as number of revertants at 1x10^-3 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 14.33 +/- 0.58 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 207 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.0625 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129386 | Antibacterial activity against Staphylococcus aureus ATCC 29213 incubated for 16 to 20 hrs using 10^3 CFU/ml bacterial inoculum by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 208 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129388 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs using 10^7 CFU/ml bacterial inoculum by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 209 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129391 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs using 10^3 CFU/ml bacterial inoculum by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 210 | CHEMBL5204486 | None | 903.16 | 3 | 5.10 | A-18 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cn(-c3cnc4ccccc4c3)nn2)Cc2cccs2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 0.125 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 211 | CHEMBL5191707 | None | 904.21 | 3 | 5.59 | C-8 | CCCN(CCC)C[C@H]1/C=C(C)/C=C/C(=O)[C@H](C)C[C@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O)CC(=O)O[C@@H]1CC | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 212 | CHEMBL5189248 | None | 848.10 | 2 | 4.03 | 1-25(C-6) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)C | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129405 | Antibacterial activity against Streptococcus dysgalactiae incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Streptococcus dysgalactiae | None | None | None | None | CHEMBL1075341 | Streptococcus dysgalactiae | Streptococcus dysgalactiae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 213 | CHEMBL5169799 | None | 888.16 | 2 | 4.96 | 1-24(C-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCC1 | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 214 | CHEMBL5206160 | None | 821.03 | 2 | 3.46 | 1-22(A-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129404 | Antibacterial activity against Enterococcus faecium incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Enterococcus faecium | None | None | None | None | CHEMBL357 | Enterococcus faecium | Enterococcus faecium | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 215 | CHEMBL5184894 | None | 916.22 | 3 | 5.74 | C-3 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCCC1 | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129408 | Antibacterial activity against Pseudomonas aeruginosa LTP-3 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Pseudomonas aeruginosa | None | None | None | None | CHEMBL348 | Pseudomonas aeruginosa | Pseudomonas aeruginosa | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 216 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MBC | '=' | 0.25 | ug ml-1 | UO_0000274 | 0 | CHEMBL5129411 | Bactericidal activity against Staphylococcus aureus ATCC 29213 incubated for 20 to 24 hrs by CLSI based analysis | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 20.0 hrs | Time_Upper = 24.0 hrs | |||||||||||||
| 217 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 1.0 | CFU/ml | 0 | CHEMBL5129414 | Bactericidal activity against Escherichia coli ATCC 25922 assessed as reduction in number of viable bacteria at 4 times MIC measured after 2 hrs by time kill assay (Rvb = 10^4.85 CFU/ml) | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 2.0 hr | ||||||||||||||
| 218 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '<=' | 0.0625 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129432 | Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 8.4 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 219 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 157.67 | 0 | CHEMBL5129446 | Genotoxicity in Salmonella typhimurium TA100 assessed as number of revertants at 1.6x10^-6 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 221.67 +/- 15.57 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 220 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 371.33 | 0 | CHEMBL5129456 | Genotoxicity in Salmonella typhimurium TA102 assessed as number of revertants at 1.6x10^-6 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 386.67 +/- 23.44 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 221 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 19.67 | 0 | CHEMBL5129473 | Genotoxicity in Salmonella typhimurium TA1537 assessed as number of revertants at 4x10^-5 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 22.67 +/- 2.52 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 222 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 14.33 | 0 | CHEMBL5129475 | Genotoxicity in Salmonella typhimurium TA1537 assessed as number of revertants at 1.6x10^-6 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 22.67 +/- 2.52 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 223 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129436 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs in presence of 25% foetal bovine serum by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 224 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 4.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129437 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs in presence of 50% foetal bovine serum by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 225 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 17.67 | 0 | CHEMBL5129479 | Genotoxicity in Salmonella typhimurium TA1537 assessed as number of revertants at 8x10^-6 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 20 +/- 5 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 226 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 42.33 | 0 | CHEMBL5129359 | Genotoxicity in Salmonella typhimurium TA98 assessed as number of revertants at 1.6x10^-6 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 43.67+/- 7.1 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 227 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 64.33 | 0 | CHEMBL5129364 | Genotoxicity in Salmonella typhimurium TA98 assessed as number of revertants at 1.6x10^-6 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 57.33 +/- 3.06 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 228 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Inhibition | % | NA | UO_0000187 | 0 | CHEMBL5129380 | Inhibition of DNA synthesis in Escherichia coli ATCC 25922 at 4 mg/ml measured upto 12 hrs by DAPI staining based fluorescence microscopic analysis | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Dose = 4.0 mg/ml | TIME <= 12.0 hr | ||||||||||||||
| 229 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129383 | Antibacterial activity against Staphylococcus aureus ATCC 29213 incubated for 16 to 20 hrs using 10^6 CFU/ml bacterial inoculum by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 230 | CHEMBL5189248 | None | 848.10 | 2 | 4.03 | 1-25(C-6) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)C | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 231 | CHEMBL5184894 | None | 916.22 | 3 | 5.74 | C-3 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCCC1 | MIC | '=' | 0.125 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129400 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 232 | CHEMBL5188035 | None | 925.18 | 3 | 5.60 | A-14 | CCc1ccc(CN(CC[C@H]2C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](CO)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)Cc2cn(-c3cnc4ccccc4c3)nn2)cc1 | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 233 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 45.67 | 0 | CHEMBL5129360 | Genotoxicity in Salmonella typhimurium TA98 assessed as number of revertants at 8x10^-6 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 43.67+/- 7.1 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 234 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | Non-Toxic | 0 | CHEMBL5129369 | Toxicity in Kunming mouse infected with Staphylococcus aureus ATCC 25923 assessed as reduction in neutrophils at 20 to 40 mg/kg, iv measured after 1 hr by hematoxylin and eosin staining based microscopic analysis | T | BAO_0000218 | organism-based format | Mus musculus | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Dose_Lower = 20.0 mg/kg | Dose_Upper = 40.0 mg/kg | Route: IV | TIME = 1.0 hr | |||||||||||||||||
| 235 | CHEMBL5195351 | None | 965.12 | 3 | 6.05 | A-6 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(C(F)(F)F)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 236 | CHEMBL5189248 | None | 848.10 | 2 | 4.03 | 1-25(C-6) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)C | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 237 | CHEMBL5180308 | None | 876.15 | 2 | 4.81 | C-7 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(CC)CC | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 238 | CHEMBL5188035 | None | 925.18 | 3 | 5.60 | A-14 | CCc1ccc(CN(CC[C@H]2C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](CO)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)Cc2cn(-c3cnc4ccccc4c3)nn2)cc1 | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 239 | CHEMBL5209459 | None | 932.26 | 3 | 6.37 | C-9 | CCCCN(CCCC)C[C@H]1/C=C(C)/C=C/C(=O)[C@H](C)C[C@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O)CC(=O)O[C@@H]1CC | MIC | '=' | 16.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 240 | CHEMBL5169799 | None | 888.16 | 2 | 4.96 | 1-24(C-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCC1 | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129407 | Antibacterial activity against Escherichia coli incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 241 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.5 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129439 | Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 8.6 incubated for 16 to 20 hrs in presence of 5% foetal bovine serum by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 242 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 231.0 | 0 | CHEMBL5129442 | Genotoxicity in Salmonella typhimurium TA100 assessed as number of revertants at 1x10^-3 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 221.67 +/- 15.57 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 243 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 226.0 | 0 | CHEMBL5129445 | Genotoxicity in Salmonella typhimurium TA100 assessed as number of revertants at 8x10^-6 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 221.67 +/- 15.57 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 244 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.125 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129384 | Antibacterial activity against Staphylococcus aureus ATCC 29213 incubated for 16 to 20 hrs using 10^5 CFU/ml bacterial inoculum by broth microdilution method | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 245 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MBC | '=' | 2.0 | ug ml-1 | UO_0000274 | 0 | CHEMBL5129409 | Bactericidal activity against Escherichia coli ATCC 25922 incubated for 20 to 24 hrs by CLSI based analysis | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 20.0 hrs | Time_Upper = 24.0 hrs | |||||||||||||
| 246 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 0.25 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129405 | Antibacterial activity against Streptococcus dysgalactiae incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Streptococcus dysgalactiae | None | None | None | None | CHEMBL1075341 | Streptococcus dysgalactiae | Streptococcus dysgalactiae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 247 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 63.33 | 0 | CHEMBL5129365 | Genotoxicity in Salmonella typhimurium TA98 assessed as number of revertants at 8x10^-6 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 57.33 +/- 3.06 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 248 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Inhibition | % | NA | UO_0000187 | 0 | CHEMBL5129377 | Antibacterial activity against Staphylococcus aureus ATCC 25923 infected in kunming mouse assessed as inhibition of bacterial growth at 10 mg/kg, iv measured after 1 hr | F | BAO_0000218 | organism-based format | Staphylococcus aureus | None | None | None | None | CHEMBL352 | Staphylococcus aureus | Staphylococcus aureus | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | DOSE = 10.0 mg.kg-1 | Route: IV | TIME = 1.0 hr | ||||||||||||||
| 249 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129393 | Antibacterial activity against Escherichia coli ATCC 25922 at pH 6.8 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 250 | CHEMBL5191683 | None | 916.22 | 3 | 5.45 | C-5 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CC(C)CC(C)C1 | MIC | '=' | 8.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129401 | Antibacterial activity against Escherichia coli ATCC 25922 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 251 | CHEMBL5169799 | None | 888.16 | 2 | 4.96 | 1-24(C-1) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCC1 | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129404 | Antibacterial activity against Enterococcus faecium incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Enterococcus faecium | None | None | None | None | CHEMBL357 | Enterococcus faecium | Enterococcus faecium | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 252 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Ratio | '=' | 2.0 | 0 | CHEMBL5129410 | Ratio of MBC to MIC for Escherichia coli ATCC 25922 | F | BAO_0000218 | organism-based format | Escherichia coli | None | None | None | None | CHEMBL354 | Escherichia coli | Escherichia coli | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | ||||||||||||||||
| 253 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 167.0 | 0 | CHEMBL5129450 | Genotoxicity in Salmonella typhimurium TA100 assessed as number of revertants at 8x10^-6 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 204.33 +/- 8.14 No_unit) | T | BAO_0000220 | subcellular format | Salmonella enterica subsp. enterica serovar Typhimurium | CHEMBL3559723 | Liver | None | S9 | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 254 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 429.33 | 0 | CHEMBL5129454 | Genotoxicity in Salmonella typhimurium TA102 assessed as number of revertants at 4x10^-5 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 386.67 +/- 23.44 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr | ||||||||||||||||
| 255 | CHEMBL5199514 | None | 897.13 | 3 | 5.03 | 1-23(A-2) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccccc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO | MIC | '=' | 32.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129402 | Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Cronobacter sakazakii | None | None | None | None | CHEMBL4523084 | Cronobacter sakazakii | Cronobacter sakazakii | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 256 | CHEMBL5180308 | None | 876.15 | 2 | 4.81 | C-7 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(CC)CC | MIC | '=' | 1.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129403 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Klebsiella pneumoniae | None | None | None | None | CHEMBL350 | Klebsiella pneumoniae | Klebsiella pneumoniae | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 257 | CHEMBL5189248 | None | 848.10 | 2 | 4.03 | 1-25(C-6) | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)C | MIC | '=' | 2.0 | ug.mL-1 | UO_0000274 | 0 | CHEMBL5129408 | Antibacterial activity against Pseudomonas aeruginosa LTP-3 incubated for 16 to 20 hrs by broth microdilution method | F | BAO_0000218 | organism-based format | Pseudomonas aeruginosa | None | None | None | None | CHEMBL348 | Pseudomonas aeruginosa | Pseudomonas aeruginosa | ORGANISM | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs | |||||||||||||
| 258 | CHEMBL5198466 | None | 902.19 | 3 | 5.35 | C-2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1 | Activity | '=' | 10.33 | 0 | CHEMBL5129463 | Genotoxicity in Salmonella typhimurium TA1535 assessed as number of revertants at 2x10^-4 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 14.33 +/- 0.58 No_unit) | T | BAO_0000019 | assay format | Salmonella enterica subsp. enterica serovar Typhimurium | None | None | None | None | CHEMBL612558 | ADMET | ADMET | CHEMBL5126592 | 1 | Scientific Literature | Eur J Med Chem | 2022 | None | TIME = 72.0 hr |