Molecule Details
| InChIKey | XFYWHOCFLQPKMK-YVHASNINSA-N |
|---|---|
| Compound Name | (2R,3R)-dibenzyl 1-((S)-1-((S)-2-(tert-butoxycarbonyl)-4-methylpentanoyl)pyrrolidine-5-carbonyl)aziridine-2,3-dicarboxylate |
| Canonical SMILES | CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@@H](C(=O)OCc2ccccc2)[C@@H]1C(=O)OCc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.37 |
| 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 | 6.4 | Ki | ChEMBL;BindingDB |
| Q9N6S8 | Plasmodium falciparum | Pathogen | PF08246 PF00112 | 6.4 | Ki | ChEMBL;BindingDB | |
| Q95PM0 | rhodesain | Trypanosoma brucei rhodesiense | Pathogen | PF12131 PF08246 PF00112 | 6.3 | Ki | ChEMBL;BindingDB |