Molecule Details
| InChIKey | IJJCLTDAJAAXMS-PBWFPOADSA-N |
|---|---|
| Compound Name | 2,2-difluoro-1-[(1S,5R)-3-[[4-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-6-methoxypyrimidin-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonan-9-yl]ethanone |
| Canonical SMILES | COc1cc(Nc2cc(CO)[nH]n2)nc(N(C)C2C[C@H]3CCC[C@@H](C2)N3C(=O)C(F)F)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.74 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 9.3 | Ki | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 9.3 | Ki | ChEMBL;BindingDB |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 9.3 | Ki | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.2 | Ki | ChEMBL;BindingDB |