Brief Information of the Compound and Protein
Compound Name
N-(cyclohexylmethyl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
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PubChem ID
CID: 137646125
Canonical SMILES
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCCCC1
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Compound Formula C30H44N4
Compound Structure
Protein Name
C-X-C chemokine receptor type 4
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
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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 Homo sapiens (Human)  2
1
EC50 > 30000 nM
   TI
   LI
   LO
   TS
2
IC50 = 158 nM
   TI
   LI
   LO
   TS