Brief Information of the Compound and Protein
Compound Name
1',1'',1''',1''''-(5,5'-(1',1''-(5-(1'-(3-((1'-(3,5-bis((1'-ethyl-4,4'-bipyridin-1,1'-diium-1-yl)methyl)benzyl)-4,4'-bipyridin-1,1'-diium-1-yl)methyl)-5-((1'-(3-((4-ethyl-1,4'-bipyridin-1,1'-diium-1'-yl)methyl)-5-((1'-ethyl-4,4'-bipyridin-1,1'-diium-1-yl)methyl)benzyl)-4,4'-bipyridin-1,1'-diium-1-yl)methyl)phenyl)-4,4'-bipyridin-1,1'-diium-1-yl)-1,3-phenylene)bis(methylene)bis(4,4'-bipyridine-1,1'-diium-1',1-diyl))bis(methylene)bis(benzene-5,3,1-triyl))tetrakis(methylene)tetrakis(1-ethyl-4,4'-bipyridine-1,1'-diium)hexafluorophosphate (V)
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PubChem ID
CID: 71453766
Canonical SMILES
CCc1cc[n+](-c2cc[n+](Cc3cc(C[n+]4ccc(-c5cc[n+](CC)cc5)cc4)cc(C[n+]4ccc(-c5cc[n+](Cc6cc(C[n+]7ccc(-c8cc[n+](Cc9cc(C[n+]%10ccc(-c%11cc[n+](CC)cc%11)cc%10)cc(C[n+]%10ccc(-c%11cc[n+](CC)cc%11)cc%10)c9)cc8)cc7)cc(-[n+]7ccc(-c8cc[n+](-c9cc(C[n+]%10ccc(-c%11cc[n+](Cc%12cc(C[n+]%13ccc(-c%14cc[n+](CC)cc%14)cc%13)cc(C[n+]%13ccc(-c%14cc[n+](CC)cc%14)cc%13)c%12)cc%11)cc%10)cc(C[n+]%10ccc(-c%11cc[n+](Cc%12cc(C[n+]%13ccc(-c%14cc[n+](CC)cc%14)cc%13)cc(C[n+]%13ccc(-c%14cc[n+](CC)cc%14)cc%13)c%12)cc%11)cc%10)c9)cc8)cc7)c6)cc5)cc4)c3)cc2)cc1.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.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.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 C198H194F156N26P26
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
CL000200 SUP-T1 Homo sapiens (Human)  4
1
IC50 = 202.775641 nM
   TI
   LI
   LO
   TS
2
IC50 = 284.780495 nM
   TI
   LI
   LO
   TS
3
IC50 = 344.42039 nM
   TI
   LI
   LO
   TS
4
IC50 = 445.80821 nM
   TI
   LI
   LO
   TS
CL000570 U87.CD4.CXCR4 Homo sapiens (Human)  1
1
IC50 = 538.250046 nM
   TI
   LI
   LO
   TS