Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-(4,4-dimethylcyclohexyl)-2,2-dimethyl-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
    Show/Hide
 PubChem ID
CID: 137644813
Canonical SMILES
CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCC(C)(C)CC1
    Show/Hide
Compound Formula C33H50N4
Compound Structure
Protein Name
 Protein Info 
C-X-C chemokine receptor type 4
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Chemokine receptor
>
CXC chemokine receptor
Uniprot ID
P61073
Gene Name
CXCR4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000108 CCRF-CEM
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 > 30000 nM
   TI
   LI
   LO
   TS
2
IC50 = 541 nM
   TI
   LI
   LO
   TS