Molecule Details
| InChIKey | DPGQQXHQAVXKQK-KYJUHHDHSA-N |
|---|---|
| Compound Name | (2S)-2-[[(2S)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]propanoyl]amino]-N-[(4-methylphenyl)methyl]-4-phenylbutanamide |
| Canonical SMILES | Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2nc(C(C)(C)C)no2)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.15 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28074 | PSMB5 | Homo sapiens | Human | PF00227 | 7.7 | IC50 | ChEMBL |
| P19838 | NFKB1 | Homo sapiens | Human | PF12796 PF00531 PF16179 PF00554 | 7.0 | IC50 | ChEMBL |
| Q00653 | NFKB2 | Homo sapiens | Human | PF00023 PF12796 PF00531 PF16179 PF00554 | 7.0 | IC50 | ChEMBL |
| Q04206 | RELA | Homo sapiens | Human | PF16179 PF00554 | 7.0 | IC50 | ChEMBL |