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Ligand

NameCHEMBL167191
Molecular formulaC12H19N5O9P2
IUPAC name[5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxan-3-yl] dihydrogen phosphate
Molecular weight439.258
Hydrogen bond acceptor13
Hydrogen bond donor5
XlogP-3.1
SynonymsBDBM50085823
Phosphoric acid mono-[5-(6-methylamino-purin-9-yl)-2-phosphonooxymethyl-tetrahydro-pyran-3-yl] ester
Inchi KeyJAOJJWGDZVGRSB-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H19N5O9P2/c1-13-11-10-12(15-5-14-11)17(6-16-10)7-2-8(26-28(21,22)23)9(24-3-7)4-25-27(18,19)20/h5-9H,2-4H2,1H3,(H,13,14,15)(H2,18,19,20)(H2,21,22,23)
PubChem CID44380885
ChEMBLCHEMBL167191
IUPHARN/A
BindingDB50085823
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
146120P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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