Brief Information of the Compound and Protein
Compound Name
1,3-dicycloheptyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea
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PubChem ID
CID: 25178353
Canonical SMILES
CC1(C)CN2C(CS\C(NC3CCCCCC3)=N/C3CCCCCC3)=CSC2=N1
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Compound Formula C23H38N4S2
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
CL000108 CCRF-CEM Homo sapiens (Human)  2
1
IC50 = 2.1 nM
   TI
   LI
   LO
   TS
2
IC50 = 8.8 nM
   TI
   LI
   LO
   TS