Molecule Details
| InChIKey | BSYIKIPUNRLIEZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 8-[5-(difluoromethyl)-3-pyridinyl]-1-(3,6-dihydro-2H-pyran-4-yl)-[1,2,4]triazolo[4,3-a]quinoxaline |
| Canonical SMILES | FC(F)c1cncc(-c2ccc3ncc4nnc(C5=CCOCC5)n4c3c2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 6.68 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P78527 | PRKDC | Homo sapiens | Human | PF20500 PF20502 PF08163 PF19704 PF02259 PF02260 PF00454 | 7.4 | IC50 | ChEMBL;BindingDB |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q13535 | ATR | Homo sapiens | Human | PF02259 PF02260 PF23593 PF25030 PF25032 PF00454 PF08064 | 6.3 | IC50 | ChEMBL |
| Q8WXE1 | ATRIP | Homo sapiens | Human | — | 6.3 | IC50 | ChEMBL;BindingDB |