Molecule Details
| InChIKey | PPHAWIZVVUURJO-OXQOHEQNSA-N |
|---|---|
| Compound Name | 3-(4-Methoxy-benzenesulfonyl)-2-methyl-7-phenyl-heptanoic acid hydroxyamide |
| Canonical SMILES | COc1ccc(S(=O)(=O)[C@H](CCCCc2ccccc2)[C@@H](C)C(=O)NO)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.33 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.0 | pIC50 | TTD_MultiTarget |
| P27815 | PDE4A | Homo sapiens | Human | PF18100 PF00233 | 7.5 | IC50 | ChEMBL |
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 7.5 | IC50 | ChEMBL |
| Q08493 | PDE4C | Homo sapiens | Human | PF18100 PF00233 | 7.5 | IC50 | ChEMBL |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 7.5 | IC50 | ChEMBL |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.2 | pIC50 | TTD_MultiTarget |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.3 | Ki | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 7.2 | pIC50 | TTD_MultiTarget |