Molecule Details
| InChIKey | VALNJAQHJPYEAK-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-chloro-2-N-[2-methoxy-4-[4-(piperazin-1-ylmethyl)triazol-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine |
| Canonical SMILES | COc1cc(-n2cc(CN3CCNCC3)nn2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.51 |
| 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 | 8.4 | IC50 | ChEMBL;BindingDB |
| P08922 | ROS1 | Homo sapiens | Human | PF00041 PF07714 | 8.1 | IC50 | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.0 | IC50 | ChEMBL;BindingDB |