Molecule Details
InChIKeyIJNMRIYHRCSVCO-HSZRJFAPSA-N
Compound Name(7R)-2-[2-ethoxy-4-(1-methylpiperidin-4-yl)anilino]-7-ethyl-5-methyl-8-[(3-methylthiophen-2-yl)methyl]-7H-pteridin-6-one
Canonical SMILESCCOc1cc(C2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(Cc1sccc1C)[C@H](CC)C(=O)N2C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.08
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 7.2 IC50 ChEMBL;BindingDB
P53350 PLK1 Homo sapiens Human PF00069 PF00659 7.2 IC50 ChEMBL;BindingDB
O60885 BRD4 Homo sapiens Human PF17035 PF17105 PF00439 6.9 IC50 ChEMBL;BindingDB