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Ligand

NameCHEMBL448985
Molecular formulaC14H24N2O22P4
IUPAC name[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[[(2S,3R,4S)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl] hydrogen phosphate
Molecular weight696.233
Hydrogen bond acceptor22
Hydrogen bond donor10
XlogP-8.4
SynonymsBDBM50270543
[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[hydroxy({[hydroxy({[(2S,3R,4S)-3,4,5-trihydroxyoxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy})phosphinic acid
Inchi KeyHPDQGYIGIVCECG-IGZWYBIHSA-N
Inchi IDInChI=1S/C14H24N2O22P4/c17-7-1-2-16(14(23)15-7)12-10(20)8(18)5(34-12)3-32-39(24,25)36-41(28,29)38-42(30,31)37-40(26,27)33-4-6-9(19)11(21)13(22)35-6/h1-2,5-6,8-13,18-22H,3-4H2,(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H,15,17,23)/t5-,6+,8-,9+,10-,11+,12-,13?/m1/s1
PubChem CID44585516
ChEMBLCHEMBL448985
IUPHARN/A
BindingDB50270543
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
120594P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
120595P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
120596P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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