Molecule Details
InChIKeyLNPGEMWHMALOTH-UHFFFAOYSA-N
Compound Name4-(4-(2-Aminopropan-2-yl)phenyl)-2-(4-(2-(4-methylpiperazin-1-yl)ethyl)phenylamino)pyrimidine-5-carbonitrile
Canonical SMILESCN1CCN(CCc2ccc(Nc3ncc(C#N)c(-c4ccc(C(C)(C)N)cc4)n3)cc2)CC1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL7.68
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P06493 CDK1 Homo sapiens Human PF00069 7.7 pIC50 TTD_MultiTarget
P35968 KDR Homo sapiens Human PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 7.7 IC50 ChEMBL;BindingDB