Molecule Details
| InChIKey | YZORPUYWQSMGBV-QZLCNWOESA-N |
|---|---|
| Compound Name | (2S)-N-[(2S,3S,5R)-1-cyclohexyl-3,5-dihydroxyheptan-2-yl]-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]pent-4-enamide |
| Canonical SMILES | C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](O)CC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.26 |
| 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 | 9.7 | IC50 | ChEMBL;BindingDB |
| P07339 | CTSD | Homo sapiens | Human | PF07966 PF00026 | 8.3 | Ki | ChEMBL;BindingDB |
| P14091 | CTSE | Homo sapiens | Human | PF07966 PF00026 | 8.0 | Ki | ChEMBL;BindingDB |
| P0DJD9 | PGA5 | Homo sapiens | Human | PF07966 PF00026 | 7.1 | Ki | ChEMBL;BindingDB |