Molecule Details
| InChIKey | KYODHQKKLBGUED-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-N-[4-[4-(azetidin-1-ylmethyl)piperidin-1-yl]-2-methoxyphenyl]-5-chloro-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine |
| Canonical SMILES | COc1cc(N2CCC(CN3CCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.82 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 9.1 | IC50 | ChEMBL;BindingDB |
| P08069 | IGF1R | Homo sapiens | Human | PF00757 PF07714 PF01030 | 7.5 | IC50 | ChEMBL;BindingDB |
| P06213 | INSR | Homo sapiens | Human | PF00757 PF17870 PF07714 PF01030 | 6.9 | IC50 | ChEMBL;BindingDB |