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Ligand

NameCHEMBL594086
Molecular formulaC16H27N3O17P2
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(methoxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
Molecular weight595.344
Hydrogen bond acceptor17
Hydrogen bond donor9
XlogP-6.5
SynonymsN/A
Inchi KeyIAQWXMSERRVTPN-UFOCRPLYSA-N
Inchi IDInChI=1S/C16H27N3O17P2/c1-31-18-8-2-3-19(16(26)17-8)14-12(24)10(22)7(33-14)5-32-37(27,28)36-38(29,30)35-15-13(25)11(23)9(21)6(4-20)34-15/h2-3,6-7,9-15,20-25H,4-5H2,1H3,(H,27,28)(H,29,30)(H,17,18,26)/t6-,7-,9-,10-,11+,12-,13-,14-,15-/m1/s1
PubChem CID46226486
ChEMBLCHEMBL594086
IUPHARN/A
BindingDBN/A
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
128670P2Y purinoceptor 14Q15391P2RY14Homo sapiens (Human)338

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