Molecule Details
| InChIKey | PMGPBZHUTBKGCZ-VOGSPBGVSA-N |
|---|---|
| Compound Name | 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S,3S)-3-methylsulfonyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine |
| Canonical SMILES | CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.61 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.1 | Ki | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.1 | Ki | ChEMBL;BindingDB |