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Ligand

Namedenufosol
Molecular formulaC18H27N5O21P4
IUPAC name[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Molecular weight773.323
Hydrogen bond acceptor21
Hydrogen bond donor9
XlogP-8.4
Synonyms318250-11-2
DB04983
INS3721
[[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
BDBM50270553
[ Show all ]
Inchi KeyFPNPSEMJLALQSA-MIYUEGBISA-N
Inchi IDInChI=1S/C18H27N5O21P4/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29)/t8-,9+,10+,13+,14+,15+,16+/m0/s1
PubChem CID9875516
ChEMBLCHEMBL507282
IUPHAR1737
BindingDB50270553
DrugBankDB04983

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
84174P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
84175P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
84173P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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