Molecule Details
| InChIKey | SKYVAYDFIWVHPU-LJAQVGFWSA-N |
|---|---|
| Compound Name | (S)-3-Methyl-2-{4''-[(3-phenyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-butyric acid |
| Canonical SMILES | CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3oc4ccccc4c3-c3ccccc3)cc2)cc1)C(=O)O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.66 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 6.7 | pIC50 | TTD_MultiTarget |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.7 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 6.7 | pIC50 | TTD_MultiTarget |