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Ligand

NameCHEMBL468354
Molecular formulaC16H25N4O10P
IUPAC name(2S,3S,4R,5R)-N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight464.368
Hydrogen bond acceptor10
Hydrogen bond donor5
XlogP-2.9
SynonymsBDBM50262252
SCHEMBL13210978
2-[(2S,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofurane-2-carboxamido]ethylamidomethylphosphonic acid diethyl ester
Inchi KeyLDQSHNXCUDCWBF-SFDCQRBFSA-N
Inchi IDInChI=1S/C16H25N4O10P/c1-3-28-31(27,29-4-2)8-18-10(22)7-17-14(25)13-11(23)12(24)15(30-13)20-6-5-9(21)19-16(20)26/h5-6,11-13,15,23-24H,3-4,7-8H2,1-2H3,(H,17,25)(H,18,22)(H,19,21,26)/t11-,12+,13-,15+/m0/s1
PubChem CID24949082
ChEMBLCHEMBL468354
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
184864P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
184866P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
184865P2Y purinoceptor 6Q63371P2ry6Rattus norvegicus (Rat)328

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