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Ligand

NameCHEMBL511933
Molecular formulaC23H31N4O10P
IUPAC name(2S,3S,4R,5R)-N-[3-[4-(diethoxyphosphorylmethyl)anilino]-3-oxopropyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight554.493
Hydrogen bond acceptor10
Hydrogen bond donor5
XlogP-1.7
SynonymsBDBM50262250
SCHEMBL13210974
4-[3-((2S,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofurane-2-carboxamido)propylamido]benzylphosphonic acid diethyl ester
Inchi KeyMATMQHRLYZMFNV-CUXKYVRBSA-N
Inchi IDInChI=1S/C23H31N4O10P/c1-3-35-38(34,36-4-2)13-14-5-7-15(8-6-14)25-16(28)9-11-24-21(32)20-18(30)19(31)22(37-20)27-12-10-17(29)26-23(27)33/h5-8,10,12,18-20,22,30-31H,3-4,9,11,13H2,1-2H3,(H,24,32)(H,25,28)(H,26,29,33)/t18-,19+,20-,22+/m0/s1
PubChem CID24949080
ChEMBLCHEMBL511933
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
201004P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
201005P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
201003P2Y purinoceptor 6Q63371P2ry6Rattus norvegicus (Rat)328

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