Molecule Details
| InChIKey | PEKNSUNAKRRBMR-DQEYMECFSA-N |
|---|---|
| Compound Name | (2S)-N-[(2S)-1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]-N'-(2,2-dimethylpropyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanediamide |
| Canonical SMILES | Cc1cc(C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](CCc2ccccc2)C(=O)NCc2ccccc2)no1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.03 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P19838 | NFKB1 | Homo sapiens | Human | PF12796 PF00531 PF16179 PF00554 | 8.1 | IC50 | ChEMBL |
| Q00653 | NFKB2 | Homo sapiens | Human | PF00023 PF12796 PF00531 PF16179 PF00554 | 8.1 | IC50 | ChEMBL |
| Q04206 | RELA | Homo sapiens | Human | PF16179 PF00554 | 8.1 | IC50 | ChEMBL |
| P28074 | PSMB5 | Homo sapiens | Human | PF00227 | 8.0 | IC50 | ChEMBL |