Brief Information of the Compound and Protein
Compound Name
1',1'',1''',1'''',1''''',1'''''',1''''''',1'''''''',1''''''''',1'''''''''',1''''''''''',1''''''''''''-(5,5',5'',5''',5'''',5'''''-(1',1'',1''',1'''',1''''',1''''''-(5,5',5''-(1',1'',1'''-(benzene-1,3,5-triyltris(methylene))tris(4,4'-bipyridine-1,1'-diium-1',1-diyl))tris(methylene)tris(benzene-5,3,1-triyl))hexakis(methylene)hexakis(4,4'-bipyridine-1,1'-diium-1',1-diyl))hexakis(methylene)hexakis(benzene-5,3,1-triyl))dodecakis(methylene)dodecakis(1-ethyl-4,4'-bipyridine-1,1'-diium)hexafluorophosphate (V)
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PubChem ID
CID: 71450127
Canonical SMILES
CC[n+]1ccc(-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(C[n+]7ccc(-c8cc[n+](Cc9cc(C[n+]%10ccc(-c%11cc[n+](Cc%12cc(C[n+]%13ccc(-c%14cc[n+](Cc%15cc(C[n+]%16ccc(-c%17cc[n+](CC)cc%17)cc%16)cc(C[n+]%16ccc(-c%17cc[n+](CC)cc%17)cc%16)c%15)cc%14)cc%13)cc(C[n+]%13ccc(-c%14cc[n+](Cc%15cc(C[n+]%16ccc(-c%17cc[n+](CC)cc%17)cc%16)cc(C[n+]%16ccc(-c%17cc[n+](CC)cc%17)cc%16)c%15)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%15cc(C[n+]%16ccc(-c%17cc[n+](CC)cc%17)cc%16)cc(C[n+]%16ccc(-c%17cc[n+](CC)cc%17)cc%16)c%15)cc%14)cc%13)cc(C[n+]%13ccc(-c%14cc[n+](Cc%15cc(C[n+]%16ccc(-c%17cc[n+](CC)cc%17)cc%16)cc(C[n+]%16ccc(-c%17cc[n+](CC)cc%17)cc%16)c%15)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.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 C324H318F252N42P42
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
>
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 = 101.02114 nM
   TI
   LI
   LO
   TS
2
IC50 = 108.368132 nM
   TI
   LI
   LO
   TS
3
IC50 = 111.123254 nM
   TI
   LI
   LO
   TS
4
IC50 = 180.001304 nM
   TI
   LI
   LO
   TS
CL000570 U87.CD4.CXCR4 Homo sapiens (Human)  1
1
IC50 = 89.082278 nM
   TI
   LI
   LO
   TS