Molecule Details
| InChIKey | IJDLDJGJYHPWSI-UHFFFAOYSA-N |
|---|---|
| Compound Name | 7''-(3-fluorobicyclo[1.1.1]pentan-1-yl)-2''-((4-methyl-6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)amino)spiro[cyclopropane-1,5''-pyrrolo[2,3-d]pyrimidin]-6''(7''H)-one |
| Canonical SMILES | Cc1cc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)N(C13CC(F)(C1)C3)C(=O)C21CC1 |
| 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 |