Molecule Details
| InChIKey | KUNJDMYXAJIQIO-LSUKLKIZSA-N |
|---|---|
| Compound Name | benzyl N-[(2S)-1-[[(E,3S)-1-nitro-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate |
| Canonical SMILES | O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/[N+](=O)[O-])CCc1ccccc1)OCc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.88 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 7.7 | Ki | ChEMBL;BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 7.5 | Ki | ChEMBL;BindingDB |
| Q95PM0 | rhodesain | Trypanosoma brucei rhodesiense | Pathogen | PF12131 PF08246 PF00112 | 8.4 | Ki | ChEMBL;BindingDB |
| P25779 | Trypanosoma cruzi | Pathogen | PF12131 PF08246 PF00112 | 8.0 | Ki | ChEMBL;BindingDB |