Molecule Details
| InChIKey | LRRAUDSVXJEODP-VTVVEXCCSA-N |
|---|---|
| Compound Name | (2R,3R)-N-(benzofuran-2-ylmethyl)-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide |
| Canonical SMILES | O=C(NCc1cc2ccccc2o1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.48 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P50281 | MMP14 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 6.8 | Ki | ChEMBL;BindingDB |
| P78536 | ADAM17 | Homo sapiens | Human | PF16698 PF00200 PF13574 | 6.8 | Ki | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 6.5 | pIC50 | TTD_MultiTarget |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.3 | Ki | ChEMBL;BindingDB |
| O14672 | ADAM10 | Homo sapiens | Human | PF21299 PF00200 PF13574 | 6.1 | Ki | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 6.3 | pIC50 | TTD_MultiTarget |