Molecule Details
| InChIKey | NHEOMGKMIVQQIX-LUOAPIJWSA-N |
|---|---|
| Compound Name | 5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)-2-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-2,4-diamine |
| Canonical SMILES | CC(C)S(=O)(=O)c1ccccc1Nc1nc(N/N=C/c2cccc(C(F)(F)F)c2)ncc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.31 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08922 | ROS1 | Homo sapiens | Human | PF00041 PF07714 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 8.3 | IC50 | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.3 | IC50 | ChEMBL;BindingDB |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.3 | IC50 | ChEMBL;BindingDB |