Molecule Details
| InChIKey | FXGIQTGYEVOOOM-CATZNBOOSA-N |
|---|---|
| Compound Name | (4-nitrophenyl)methyl N-[(2S)-4-methyl-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]pentan-2-yl]carbamate |
| Canonical SMILES | CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc([N+](=O)[O-])cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.16 |
| 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 | 8.5 | Ki | ChEMBL;BindingDB |
| Q95PM0 | rhodesain | Trypanosoma brucei rhodesiense | Pathogen | PF12131 PF08246 PF00112 | 9.1 | Ki | ChEMBL;BindingDB |
| Q9N6S8 | Plasmodium falciparum | Pathogen | PF08246 PF00112 | 7.0 | IC50 | ChEMBL;BindingDB |