Molecule Details
| InChIKey | WQAVPPWWLLVGFK-VTNASVEKSA-N |
|---|---|
| Compound Name | (S)-3-(4-methoxyphenyl)-N-((S)-1-((R)-2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-(2-morpholinoacetamido)propanamido)propanamide |
| Canonical SMILES | COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.47 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28062 | PSMB8 | Homo sapiens | Human | PF00227 | 7.4 | IC50 | ChEMBL;BindingDB |
| P28065 | PSMB9 | Homo sapiens | Human | PF00227 | 6.5 | IC50 | ChEMBL;BindingDB |
| P28074 | PSMB5 | Homo sapiens | Human | PF00227 | 6.4 | IC50 | ChEMBL;BindingDB |
| P40306 | PSMB10 | Homo sapiens | Human | PF12465 PF00227 | 6.0 | IC50 | ChEMBL;BindingDB |
| P49721 | PSMB2 | Homo sapiens | Human | PF00227 | 6.0 | IC50 | ChEMBL;BindingDB |