Molecule Details
| InChIKey | UWPHCZNYIWQCKD-APWZRJJASA-N |
|---|---|
| Compound Name | (2R,5R)-1-[4-[(4-bromophenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide |
| Canonical SMILES | CC1(C)C[C@@H](O)CN(S(=O)(=O)c2ccc(OCc3ccc(Br)cc3)cc2)[C@H]1C(=O)NO |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.31 |
| 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 | 8.8 | IC50 | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.8 | pIC50 | TTD_MultiTarget |
| P78536 | ADAM17 | Homo sapiens | Human | PF16698 PF00200 PF13574 | 8.0 | IC50 | ChEMBL;BindingDB |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.0 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 8.8 | pIC50 | TTD_MultiTarget |