Molecule Details
| InChIKey | ROYCRTHTOWKGBO-WILQCXIPSA-N |
|---|---|
| Compound Name | benzyl N-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate |
| Canonical SMILES | CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.79 |
| 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 | 9.2 | Ki | ChEMBL;BindingDB |
| Q95PM0 | rhodesain | Trypanosoma brucei rhodesiense | Pathogen | PF12131 PF08246 PF00112 | 8.0 | Ki | ChEMBL;BindingDB |
| Q9N6S8 | Plasmodium falciparum | Pathogen | PF08246 PF00112 | 6.1 | IC50 | ChEMBL;BindingDB |