Molecule Details
InChIKeyREMRQQHCGVYVPH-JSOSNVBQSA-N
Compound Name(8S)-N-[[4-[(oxan-4-ylamino)methyl]phenyl]methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Canonical SMILESc1ccc2c(c1)CN[C@@H](CN(Cc1ccc(CNC3CCOCC3)cc1)[C@H]1CCCc3cccnc31)C2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.56
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 7.0 IC50 ChEMBL;BindingDB
P08684 CYP3A4 Homo sapiens Human PF00067 6.4 IC50 ChEMBL;BindingDB
P10635 CYP2D6 Homo sapiens Human PF00067 6.3 IC50 ChEMBL;BindingDB