Molecule Details
InChIKeyLYAOPUXRPJKSKW-RUZDIDTESA-N
Compound Name4-[[(7R)-8-benzyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-ethoxy-N-(1-methylpiperidin-4-yl)benzamide
Canonical SMILESCCOc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(Cc1ccccc1)[C@H](CC)C(=O)N2C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.87
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
O60885 BRD4 Homo sapiens Human PF17035 PF17105 PF00439 7.2 Kd ChEMBL;BindingDB
P53350 PLK1 Homo sapiens Human PF00069 PF00659 7.1 IC50 ChEMBL;BindingDB
Q9UM73 ALK Homo sapiens Human PF12810 PF00629 PF07714 6.4 IC50 ChEMBL;BindingDB