Molecule Details
| InChIKey | YZCLZWVHSZUTMP-UHFFFAOYSA-N |
|---|---|
| Compound Name | (R)-3-(4-(3-(4-(3-chlorophenyl)piperazin-1-yl)propoxy)phenyl)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-2-methylpropanamide |
| Canonical SMILES | COc1ccc(S(=O)(=O)C(C)(Cc2ccc(OCCCN3CCN(c4cccc(Cl)c4)CC3)cc2)C(=O)NO)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.7 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.4 | IC50 | ChEMBL;BindingDB |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.3 | pIC50 | TTD_MultiTarget |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.2 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 8.4 | pIC50 | TTD_MultiTarget |