Brief Information of the Compound and Protein
Compound Name
1,1-dimethyl-3-[4-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]butyl]urea
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PubChem ID
CID: 76309931
Canonical SMILES
CN(C)C(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12
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Compound Formula C26H37N5O
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 = 180 nM
   TI
   LI
   LO
   TS
CL000501 HeLa-MAGI-CCR5 Homo sapiens (Human)  1
1
IC50 = 420 nM
   TI
   LI
   LO
   TS