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Ligand

NameCHEMBL2179460
Molecular formulaC98H98F60N18O8P10
IUPAC name1-[3-[4-[1-[[3-[4-[1-[3,5-bis[[4-[1-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-5-[[4-[1-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-5-methylpyrimidine-2,4-dione;decahexafluorophosphate
Molecular weight3105.62
Hydrogen bond acceptor78
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyVPHWHXLETYQANF-UHFFFAOYSA-R
Inchi IDInChI=1S/C98H94N18O8.10F6P/c1-71-63-113(95(121)99-91(71)117)33-5-29-103-37-9-79(10-38-103)83-17-45-107(46-18-83)67-75-57-76(68-108-47-19-84(20-48-108)80-11-39-104(40-12-80)30-6-34-114-64-72(2)92(118)100-96(114)122)60-89(59-75)111-53-25-87(26-54-111)88-27-55-112(56-28-88)90-61-77(69-109-49-21-85(22-50-109)81-13-41-105(42-14-81)31-7-35-115-65-73(3)93(119)101-97(115)123)58-78(62-90)70-110-51-23-86(24-52-110)82-15-43-106(44-16-82)32-8-36-116-66-74(4)94(120)102-98(116)124;10*1-7(2,3,4,5)6/h9-28,37-66H,5-8,29-36,67-70H2,1-4H3;;;;;;;;;;/q+6;10*-1/p+4
PubChem CID71453764
ChEMBLCHEMBL2179460
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
360892C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352
360891C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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