Brief Information of the Compound and Protein
Compound Name
1,3-dicyclohexyl-2-(((E)-3-methyl-2-(methylimino)-2,3-dihydrothiazol-4-yl)methyl)isothiourea
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Canonical SMILES
C\N=c1\scc(CS\C(NC2CCCCC2)=N/C2CCCCC2)n1C
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Compound Formula C19H32N4S2
Compound Structure
Protein Name
C-X-C chemokine receptor type 4
Protein Classification
Membrane receptor
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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 = 9130 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS