Molecule Details
InChIKeyQAAYUMBDRYKVMM-UHFFFAOYSA-N
Compound NameN-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(prop-2-enoylamino)pyrimidin-4-yl]oxybenzamide
Canonical SMILESC=CC(=O)Nc1cc(Oc2cc(C(=O)Nc3ccc(CN4CCN(CC)CC4)c(C(F)(F)F)c3)ccc2C)ncn1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.56
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P35557 GCK Homo sapiens Human PF00349 PF03727 7.8 IC50 ChEMBL;BindingDB
P08631 HCK Homo sapiens Human PF07714 PF00017 PF00018 7.5 IC50 ChEMBL;BindingDB
P49116 NR2C2 Homo sapiens Human PF00104 PF00105 7.3 IC50 ChEMBL;BindingDB