Molecule Details
| InChIKey | NFXWMRPSLAAALF-WGIJSWKSSA-N |
|---|---|
| Compound Name | {1-[1-[1-Cyclohexylmethyl-2-hydroxy-2-(1-methyl-2-oxo-azepan-3-yl)-ethylcarbamoyl]-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester |
| Canonical SMILES | CN1CCCCC([C@@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.58 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07339 | CTSD | Homo sapiens | Human | PF07966 PF00026 | 6.9 | IC50 | ChEMBL;BindingDB |
| P14091 | CTSE | Homo sapiens | Human | PF07966 PF00026 | 6.8 | IC50 | ChEMBL;BindingDB |
| P00797 | REN | Homo sapiens | Human | PF07966 PF00026 | 6.7 | IC50 | ChEMBL;BindingDB |
| P20142 | PGC | Homo sapiens | Human | PF07966 PF00026 | 6.0 | IC50 | ChEMBL;BindingDB |