Molecule Details
| InChIKey | BXKBUWYXXKDGHW-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[3-[5-Methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]propanenitrile |
| Canonical SMILES | Cc1cc(Nc2ncc(C)c(N3CC4CCCC(C3)N4CCC#N)n2)sn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.5 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 9.0 | IC50 | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL |
| P40763 | STAT3 | Homo sapiens | Human | PF00017 PF01017 PF02864 PF02865 PF21354 | 7.9 | IC50 | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.0 | IC50 | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.3 | IC50 | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |