Molecule Details
InChIKeyJFJBQYDTDVUFOI-JXMROGBWSA-N
Compound Name(E)-N-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-4-(4-methylpiperazin-1-yl)but-2-enamide
Canonical SMILESCOc1cc(NC(=O)/C=C/CN2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.73
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P08922 ROS1 Homo sapiens Human PF00041 PF07714 8.2 IC50 ChEMBL;BindingDB
Q9UM73 ALK Homo sapiens Human PF12810 PF00629 PF07714 8.1 IC50 ChEMBL;BindingDB
P08581 MET Homo sapiens Human PF07714 PF01437 PF01403 PF01833 6.9 IC50 ChEMBL;BindingDB