Molecule Details
| InChIKey | YJGCQIKMBDWQSU-NSHDSACASA-N |
|---|---|
| Compound Name | (2S)-2-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-piperidin-4-yloxybenzoyl]amino]propanoic acid |
| Canonical SMILES | Cc1[nH]c(C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)O)cc2OC2CCNCC2)c(Cl)c1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.08 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P0AES4 | gyrA | Escherichia coli (strain K12) | Pathogen | PF03989 PF00521 | 8.0 | IC50 | ChEMBL;BindingDB |
| P0AES6 | gyrB | Escherichia coli (strain K12) | Pathogen | PF00204 PF00986 PF21249 PF18053 PF02518 PF01751 | 8.0 | IC50 | ChEMBL |
| P0C1S7 | parE | Staphylococcus aureus | Pathogen | PF00204 PF00986 PF02518 PF01751 | 6.2 | IC50 | ChEMBL |
| P0C1U9 | parC | Staphylococcus aureus | Pathogen | PF03989 PF00521 | 6.2 | IC50 | ChEMBL |