Molecule Details
| InChIKey | XDMVXFHJJTUNSB-DEOSSOPVSA-N |
|---|---|
| Compound Name | (2S)-2-[[4-[5-[(4-cyano-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]phenyl]sulfonylamino]-3-methylbutanoic acid |
| Canonical SMILES | CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc4c(C#N)cccc4o3)cn2)cc1)C(=O)O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.85 |
| 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 | 7.8 | pIC50 | TTD_MultiTarget |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.8 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 7.8 | pIC50 | TTD_MultiTarget |