Molecule Details
| InChIKey | KHZNPBYKXJANSV-UHFFFAOYSA-N |
|---|---|
| Compound Name | N~4~-(1H-indazol-6-yl)-N~2~-[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]-5-methyl-2,4-pyrimidinediamine |
| Canonical SMILES | COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(C)c(Nc2ccc3cn[nH]c3c2)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.31 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 8.2 | IC50 | BindingDB |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 7.3 | IC50 | ChEMBL;BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 7.1 | IC50 | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.7 | IC50 | BindingDB |