Brief Information of the Compound and Protein
Compound Name
N'-[[(3R)-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
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PubChem ID
CID: 72546066
Canonical SMILES
CC(C)N1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc12
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Compound Formula C26H38N4
Compound Structure
Protein Name
C-X-C chemokine receptor type 4
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Chemokine receptor
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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
CL000064 Chem-1 Rattus norvegicus (Rat)  1
1
IC50 = 140 nM
   TI
   LI
   LO
   TS
CL000501 HeLa-MAGI-CCR5 Homo sapiens (Human)  1
1
IC50 = 20 nM
   TI
   LI
   LO
   TS