Molecule Details
| InChIKey | PRTZELVVYWACOX-LJADHVKFSA-N |
|---|---|
| Compound Name | {1-[1-[1-Cyclohexylmethyl-2-(1-cyclohexyl-2-oxo-pyrrolidin-3-yl)-2-hydroxy-ethylcarbamoyl]-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester |
| Canonical SMILES | CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCN(C2CCCCC2)C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.73 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00797 | REN | Homo sapiens | Human | PF07966 PF00026 | 8.0 | IC50 | ChEMBL;BindingDB |
| P14091 | CTSE | Homo sapiens | Human | PF07966 PF00026 | 6.6 | IC50 | ChEMBL;BindingDB |
| P07339 | CTSD | Homo sapiens | Human | PF07966 PF00026 | 6.3 | IC50 | ChEMBL;BindingDB |
| P20142 | PGC | Homo sapiens | Human | PF07966 PF00026 | 6.0 | IC50 | ChEMBL;BindingDB |