Molecule Details
| InChIKey | CBYPWAIEESKRSM-CZUORRHYSA-N |
|---|---|
| Compound Name | (R)-N*1*-((R)-2-Benzo[b]thiophen-3-yl-1-methylcarbamoyl-ethyl)-N*4*-hydroxy-2-isobutyl-succinamide |
| Canonical SMILES | CNC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.22 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 9.4 | pIC50 | TTD_MultiTarget |
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.3 | Ki | ChEMBL;BindingDB |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 9.1 | Ki | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 9.1 | pIC50 | TTD_MultiTarget |