Molecule Details
| InChIKey | VBHYQAVSSHIJNV-RZWMOZEYSA-N |
|---|---|
| Compound Name | N-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-1-fluoro-5-methylsulfanylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyridine-4-carboxamide |
| Canonical SMILES | CSCC[C@@H](/C=C(\F)S(=O)(=O)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.5 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 6.2 | Ki | ChEMBL;BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 6.0 | Ki | ChEMBL;BindingDB |
| Q95PM0 | rhodesain | Trypanosoma brucei rhodesiense | Pathogen | PF12131 PF08246 PF00112 | 7.2 | Ki | ChEMBL;BindingDB |