Molecule Details
| InChIKey | CNVJYZPKUZXAML-MUUNZHRXSA-N |
|---|---|
| Compound Name | (2R)-2-[[4-[4-[(3-methyl-1-benzofuran-2-yl)methoxy]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid |
| Canonical SMILES | Cc1c(COc2ccc(-c3ccc(S(=O)(=O)N[C@H](Cc4ccccc4)C(=O)O)cc3)cc2)oc2ccccc12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.51 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.4 | IC50 | ChEMBL |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.5 | pIC50 | TTD_MultiTarget |
| O75173 | ADAMTS4 | Homo sapiens | Human | PF17771 PF19236 PF05986 PF01421 PF00090 | 6.2 | IC50 | ChEMBL |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 8.0 | pIC50 | TTD_MultiTarget |