Molecule Details
InChIKeyGDPDFNXDSFOTHH-NDEPHWFRSA-N
Compound Name(3-{[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]-[3-(4-cyano-benzyl)-3H-imidazol-4-ylmethyl]-amino}-propyl)-carbamic acid tert-butyl ester
Canonical SMILESCC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2cccc(Cl)c2)C1=O
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.95
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 9.0 pIC50 TTD_MultiTarget
P49356 FNTB Homo sapiens Human PF00432 8.9 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 Clinical TTD_MultiTarget TTD_MultiTarget