Molecule Details
| InChIKey | CRDIJHAZNROVAL-PONGSQKHSA-N |
|---|---|
| Compound Name | 2-[3-Carboxy-2-(2-{3-methyl-2-[3-methyl-2-(3-phenyl-propionylamino)-butyrylamino]-butyrylamino}-4-oxo-4-pyrrolidin-1-yl-butyrylamino)-propionylamino]-4-methyl-pentanoic acid |
| Canonical SMILES | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C)C(C)C)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.62 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P23921 | RRM1 | Homo sapiens | Human | PF03477 PF02867 PF00317 | 7.6 | IC50 | ChEMBL;BindingDB |
| P31350 | RRM2 | Homo sapiens | Human | PF00268 | 7.6 | IC50 | ChEMBL |
| Q7LG56 | RRM2B | Homo sapiens | Human | PF00268 | 7.6 | IC50 | ChEMBL |
| P08543 | RIR1 | Human herpesvirus 1 (strain 17) | Pathogen | PF02867 PF00317 | 7.6 | IC50 | ChEMBL;BindingDB |