Molecule Details
InChIKeyXEWSILGLGYHPRI-NDEPHWFRSA-N
Compound Name4-(5-{[[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]-(2-morpholin-4-yl-ethyl)-amino]-methyl}-imidazol-1-ylmethyl)-benzonitrile
Canonical SMILESN#Cc1ccc(Cn2cncc2CN(CCN2CCOCC2)[C@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.41
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P49354 FNTA Homo sapiens Human PF01239 8.5 pIC50 TTD_MultiTarget
P49356 FNTB Homo sapiens Human PF00432 8.3 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 Clinical TTD_MultiTarget TTD_MultiTarget