Brief Information of the Compound and Protein
Compound Name
1',1'',1''',1''''-(5,5'-(4,4'-bipyridine-1,1'-diium-1,1'-diyl)bis(benzene-5,3,1-triyl))tetrakis(methylene)tetrakis(1-(3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propyl)-4,4'-bipyridine-1,1'-diium)hexafluorophosphate (V)
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PubChem ID
CID: 71453764
SID: 163530116
Canonical SMILES
Cc1cn(CCC[n+]2ccc(-c3cc[n+](Cc4cc(C[n+]5ccc(-c6cc[n+](CCCn7cc(C)c(=O)[nH]c7=O)cc6)cc5)cc(-[n+]5ccc(-c6cc[n+](-c7cc(C[n+]8ccc(-c9cc[n+](CCCn%10cc(C)c(=O)[nH]c%10=O)cc9)cc8)cc(C[n+]8ccc(-c9cc[n+](CCCn%10cc(C)c(=O)[nH]c%10=O)cc9)cc8)c7)cc6)cc5)c4)cc3)cc2)c(=O)[nH]c1=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
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Compound Formula C98H98F60N18O8P10
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
CL000200 SUP-T1 Homo sapiens (Human)  4
1
IC50 = 660.097888 nM
   TI
   LI
   LO
   TS
2
IC50 = 724.497682 nM
   TI
   LI
   LO
   TS
3
IC50 = 3078.310149 nM
   TI
   LI
   LO
   TS
4
IC50 = 3403.529109 nM
   TI
   LI
   LO
   TS