Molecule Details
| InChIKey | TWRWVLYTPAORIW-BLLLJJGKSA-M |
|---|---|
| Compound Name | (2S)-2-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzoyl]-methylamino]-3-methylbutanoate |
| Canonical SMILES | CC(C)[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.85 |
| 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 | 6.8 | IC50 | ChEMBL |
| Q15119 | PDK2 | Homo sapiens | Human | PF10436 PF02518 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q15120 | PDK3 | Homo sapiens | Human | PF10436 PF02518 | 6.8 | IC50 | ChEMBL |
| Q16654 | PDK4 | Homo sapiens | Human | PF10436 PF02518 | 6.8 | IC50 | ChEMBL |