Molecule Details
| InChIKey | ISIOGRVXKGDUFP-UHFFFAOYSA-N |
|---|---|
| Compound Name | 8-[5-(Difluoromethyl)-3-pyridinyl]-2-methyl-1-(oxan-4-yl)pyrazolo[3,4-c]quinoline |
| Canonical SMILES | Cn1nc2cnc3ccc(-c4cncc(C(F)F)c4)cc3c2c1C1CCOCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 6.95 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.9 | IC50 | ChEMBL;BindingDB |
| P78527 | PRKDC | Homo sapiens | Human | PF20500 PF20502 PF08163 PF19704 PF02259 PF02260 PF00454 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q13535 | ATR | Homo sapiens | Human | PF02259 PF02260 PF23593 PF25030 PF25032 PF00454 PF08064 | 6.5 | IC50 | ChEMBL |
| Q8WXE1 | ATRIP | Homo sapiens | Human | — | 6.5 | IC50 | ChEMBL;BindingDB |
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | 6.2 | IC50 | ChEMBL;BindingDB |