Molecule Details
| InChIKey | YILOYOGEUIDELY-WBKCPQTRSA-N |
|---|---|
| Compound Name | (3R)-3-methoxy-N-[(2R)-1-[[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-1-carboxamide |
| Canonical SMILES | COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CCC[C@@H](OC)C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.28 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25786 | PSMA1 | Homo sapiens | Human | PF00227 PF10584 | 8.4 | IC50 | ChEMBL;BindingDB |
| P28062 | PSMB8 | Homo sapiens | Human | PF00227 | 7.5 | IC50 | ChEMBL;BindingDB |
| P28074 | PSMB5 | Homo sapiens | Human | PF00227 | 6.6 | IC50 | ChEMBL;BindingDB |
| P28065 | PSMB9 | Homo sapiens | Human | PF00227 | 6.6 | IC50 | ChEMBL;BindingDB |