Molecule Details
| InChIKey | OQHRPJHBPQDYML-HBMCJLEFSA-N |
|---|---|
| Compound Name | (2S,11S,12R)-7-(4-aminophenyl)sulfonyl-11-N-hydroxy-2-N-methyl-12-(2-methylpropyl)-13-oxo-1,7-diazacyclotridecane-2,11-dicarboxamide |
| Canonical SMILES | CNC(=O)[C@@H]1CCCCN(S(=O)(=O)c2ccc(N)cc2)CCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.43 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.0 | pIC50 | TTD_MultiTarget |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.8 | Ki | ChEMBL;BindingDB |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.0 | Ki | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 8.9 | pIC50 | TTD_MultiTarget |