Molecule Details
| InChIKey | CLMOFAGATHXTSB-YCVJPRETSA-N |
|---|---|
| Compound Name | N-[(2S)-1-[[(2S,3S)-5-(butylamino)-3-hydroxy-5-oxo-1-[(4-thiophen-3-ylphenyl)methoxy]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide |
| Canonical SMILES | CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(-c2ccsc2)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.84 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07339 | CTSD | Homo sapiens | Human | PF07966 PF00026 | 6.6 | Ki | ChEMBL;BindingDB |
| P39898 | PMI | Plasmodium falciparum (isolate HB3) | Pathogen | PF00026 | 9.0 | Ki | ChEMBL;BindingDB |
| P46925 | PMII | Plasmodium falciparum (isolate HB3) | Pathogen | PF00026 | 7.9 | Ki | ChEMBL;BindingDB |