Molecule Details
InChIKeyXTMQXGYZVJVLMD-GQCTYLIASA-N
Compound Name(E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-(4-(4-methylpiperazin-1-yl)but-1-enyl)quinoline-3-carbonitrile
Canonical SMILESCOc1cc(Nc2c(C#N)cnc3cc(/C=C/CCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.8
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P00519 ABL1 Homo sapiens Human PF08919 PF07714 PF00017 PF00018 9.4 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 9.0 pIC50 TTD_MultiTarget
P12931 SRC Homo sapiens Human PF07714 PF00017 PF00018 8.0 IC50 ChEMBL;BindingDB