Molecule Details
| InChIKey | VRUHOUHYPBCHJF-DVOMOZLQSA-N |
|---|---|
| Compound Name | (2R)-1-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one |
| Canonical SMILES | C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)[C@@H](C)CN1Cc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.09 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q15118 | PDK1 | Homo sapiens | Human | PF10436 PF02518 | 7.1 | IC50 | ChEMBL |
| Q15119 | PDK2 | Homo sapiens | Human | PF10436 PF02518 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q15120 | PDK3 | Homo sapiens | Human | PF10436 PF02518 | 7.1 | IC50 | ChEMBL |
| Q16654 | PDK4 | Homo sapiens | Human | PF10436 PF02518 | 7.1 | IC50 | ChEMBL |