Molecule Details
| InChIKey | FVGUURIXHJHLQF-PMACEKPBSA-N |
|---|---|
| Compound Name | (2S)-2-cyclohexyl-N'-hydroxy-N-[(1S)-3-methyl-1-(5-phenyl-1H-imidazol-2-yl)butyl]butanediamide |
| Canonical SMILES | CC(C)C[C@H](NC(=O)[C@@H](CC(=O)NO)C1CCCCC1)c1nc(-c2ccccc2)c[nH]1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.87 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P09237 | MMP7 | Homo sapiens | Human | PF00413 PF01471 | 8.5 | IC50 | ChEMBL;BindingDB |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.3 | pIC50 | TTD_MultiTarget |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 6.3 | pIC50 | TTD_MultiTarget |