Brief Information of the Compound and Protein
Compound Name
1-Adamantan-2-yl-3-cyclohexyl-2-(5,6-dihydro-imidazo[2,1-b]thiazol-3-ylmethyl)-isothiourea
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PubChem ID
CID: 25178144
Canonical SMILES
C(SC(NC1C2CC3CC(C2)CC1C3)=NC1CCCCC1)C1=CSC2=NCCN12
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Compound Formula C23H34N4S2
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 = 13 nM
   TI
   LI
   LO
   TS
2
IC50 = 81 nM
   TI
   LI
   LO
   TS