Molecule Details
| InChIKey | LCWHFJMGEPVAGK-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(3-(7-methyl-2-((6-methylbenzo[d][1,3]dioxol-5-yl)amino)-8-oxo-7,8-dihydro-9H-purin-9-yl)bicyclo[1.1.1]pentan-1-yl)acetonitrile |
| Canonical SMILES | Cc1cc2c(cc1Nc1ncc3c(n1)n(C14CC(CC#N)(C1)C4)c(=O)n3C)OCO2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.26 |
| 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 | 8.3 | 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 |