Molecule Details
InChIKeyHSCURGZCDKRUEI-FENCIZKFSA-N
Compound Name(E)-N-(pyridin-4-ylmethyl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]but-2-ene-1,4-diamine
Canonical SMILESC(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNCc1ccncc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.82
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P61073 CXCR4 Homo sapiens Human PF00001 PF12109 7.4 IC50 ChEMBL;BindingDB
P10635 CYP2D6 Homo sapiens Human PF00067 6.6 IC50 ChEMBL;BindingDB
P08684 CYP3A4 Homo sapiens Human PF00067 6.5 IC50 ChEMBL;BindingDB