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Ligand

NameCHEMBL469067
Molecular formulaC17H27N4O10P
IUPAC name(2S,3S,4R,5R)-N-[3-(diethoxyphosphorylmethylamino)-3-oxopropyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight478.395
Hydrogen bond acceptor10
Hydrogen bond donor5
XlogP-3.0
SynonymsBDBM50262310
SCHEMBL13210979
3-[(2S,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofurane-2-carboxamido]propylamidomethylphosphonic acid diethyl ester
Inchi KeyLNADEPBVKWCVTJ-KNCOVGOOSA-N
Inchi IDInChI=1S/C17H27N4O10P/c1-3-29-32(28,30-4-2)9-19-10(22)5-7-18-15(26)14-12(24)13(25)16(31-14)21-8-6-11(23)20-17(21)27/h6,8,12-14,16,24-25H,3-5,7,9H2,1-2H3,(H,18,26)(H,19,22)(H,20,23,27)/t12-,13+,14-,16+/m0/s1
PubChem CID24948920
ChEMBLCHEMBL469067
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
191427P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
191426P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
191425P2Y purinoceptor 6Q63371P2ry6Rattus norvegicus (Rat)328

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