Molecule Details
InChIKeyVXFZOKLPMVMVEZ-JSOSNVBQSA-N
Compound Name(8S)-N-[[4-[[(4,4-difluorocyclohexyl)amino]methyl]phenyl]methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Canonical SMILESFC1(F)CCC(NCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)CC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.59
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 6.8 IC50 ChEMBL;BindingDB
P08684 CYP3A4 Homo sapiens Human PF00067 6.7 IC50 ChEMBL;BindingDB
P10635 CYP2D6 Homo sapiens Human PF00067 6.2 IC50 ChEMBL;BindingDB