Molecule Details
| InChIKey | KOLIYILUYWKKNC-ZRBLBEILSA-N |
|---|---|
| Compound Name | (2S,11S,12R)-11-N-hydroxy-2-N-methyl-12-(2-methylpropyl)-13-oxo-7-(2,4,6-trimethylphenyl)sulfonyl-1,7-diazacyclotridecane-2,11-dicarboxamide |
| Canonical SMILES | CNC(=O)[C@@H]1CCCCN(S(=O)(=O)c2c(C)cc(C)cc2C)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 | 8.48 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.6 | Ki | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.6 | pIC50 | TTD_MultiTarget |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.8 | Ki | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 8.8 | pIC50 | TTD_MultiTarget |