Molecule Details
InChIKeyXNRABRXYGRUDAX-INIZCTEOSA-N
Compound Name(S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydroxypropylamino)-2-(pyridin-3-yl)pyrimidin-4-yl)-1H-pyrazol-1-yl)acetonitrile
Canonical SMILESCc1cc(O)cc(-c2nn(CC#N)cc2-c2cc(NC[C@H](C)O)nc(-c3cccnc3)n2)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.96
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q9UM73 ALK Homo sapiens Human PF12810 PF00629 PF07714 9.2 IC50 ChEMBL;BindingDB
P08581 MET Homo sapiens Human PF07714 PF01437 PF01403 PF01833 8.0 IC50 ChEMBL;BindingDB
P08922 ROS1 Homo sapiens Human PF00041 PF07714 6.7 IC50 ChEMBL;BindingDB