Molecule Details
| InChIKey | PEKHSWOOLJTLAP-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-((5-fluoro-2-methyl-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-9-(4-methoxybicyclo[2.1.1]hexan-1-yl)-7-methyl-7,9-dihydro-8H-purin-8-one |
| Canonical SMILES | COC12CCC(n3c(=O)n(C)c4cnc(Nc5cc(F)c(-c6cnn(C)c6)cc5C)nc43)(C1)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.93 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P78527 | PRKDC | Homo sapiens | Human | PF20500 PF20502 PF08163 PF19704 PF02259 PF02260 PF00454 | 7.3 | IC50 | BindingDB |
| Q13315 | ATM | Homo sapiens | Human | PF02259 PF02260 PF00454 PF11640 | 7.3 | IC50 | BindingDB |
| O00443 | PIK3C2A | Homo sapiens | Human | PF00168 PF00454 PF00792 PF00794 PF00613 PF00787 | 6.3 | IC50 | BindingDB |