Molecule Details
| InChIKey | YSMSZPWEAVKTEN-VBKZILBWSA-N |
|---|---|
| Compound Name | (2R,3S)-4-acetyl-N-hydroxy-3-methyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylpiperazine-2-carboxamide |
| Canonical SMILES | CC(=O)N1CCN(S(=O)(=O)c2ccc(OCc3ccccc3C(F)(F)F)cc2)[C@@H](C(=O)NO)[C@@H]1C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.16 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P78536 | ADAM17 | Homo sapiens | Human | PF16698 PF00200 PF13574 | 8.0 | IC50 | ChEMBL;BindingDB |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.9 | pIC50 | TTD_MultiTarget |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 6.9 | pIC50 | TTD_MultiTarget |