Molecule Details
| InChIKey | UHWNJFZTYJNBAN-HYXXSBGTSA-N |
|---|---|
| Compound Name | (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide |
| Canonical SMILES | CC(=O)N1c2ccc(-c3ccc(C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.67 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.4 | Kd | ChEMBL;BindingDB |
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 6.5 | Kd | ChEMBL |
| P40337 | VHL | Homo sapiens | Human | PF01847 PF17211 | 6.5 | Kd | ChEMBL |
| Q15369 | ELOC | Homo sapiens | Human | PF03931 | 6.5 | Kd | ChEMBL;BindingDB |
| Q15370 | ELOB | Homo sapiens | Human | PF00240 | 6.5 | Kd | ChEMBL |