Molecule Details
| InChIKey | BSJSHEXWIGDLOO-JTQLQIEISA-N |
|---|---|
| Compound Name | 4-(difluoromethyl)-5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine |
| Canonical SMILES | C[C@H]1COCCN1c1nc(-c2cnc(N)nc2C(F)F)nc(N2CCOCC2)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.63 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 8.7 | Ki | ChEMBL;BindingDB |
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q6R327 | RICTOR | Homo sapiens | Human | PF14663 PF14666 PF14664 PF14665 PF14668 | 7.5 | IC50 | ChEMBL |
| Q9BPZ7 | MAPKAP1 | Homo sapiens | Human | PF16978 PF25322 PF05422 PF16979 | 7.5 | IC50 | ChEMBL |
| Q9BVC4 | MLST8 | Homo sapiens | Human | PF00400 | 7.3 | IC50 | ChEMBL |
| Q8N122 | RPTOR | Homo sapiens | Human | PF02985 PF14538 PF00400 | 7.1 | IC50 | ChEMBL |