Molecule Details
| InChIKey | ZIMPTCJSUZVWEK-IEBWSBKVSA-N |
|---|---|
| Compound Name | (3S,4R)-N,3-dihydroxy-4-[4-(3-methylphenyl)phenyl]sulfonyloxane-3-carboxamide |
| Canonical SMILES | Cc1cccc(-c2ccc(S(=O)(=O)[C@@H]3CCOC[C@]3(O)C(=O)NO)cc2)c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.37 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.4 | IC50 | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.4 | pIC50 | TTD_MultiTarget |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 9.4 | pIC50 | TTD_MultiTarget |