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Ligand

NameCHEMBL517017
Molecular formulaC24H32N7O8P
IUPAC name(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-[3-[4-(diethoxyphosphorylmethyl)anilino]-3-oxopropyl]-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight577.535
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP-1.3
Synonyms4-[3-((2S,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofurane-2-carboxamido)propylamido]benzylphosphonic acid diethyl ester
BDBM50262372
SCHEMBL13210999
Inchi KeyAGCQOOFNTDUYSN-CMCWBKRRSA-N
Inchi IDInChI=1S/C24H32N7O8P/c1-3-37-40(36,38-4-2)11-14-5-7-15(8-6-14)30-16(32)9-10-26-23(35)20-18(33)19(34)24(39-20)31-13-29-17-21(25)27-12-28-22(17)31/h5-8,12-13,18-20,24,33-34H,3-4,9-11H2,1-2H3,(H,26,35)(H,30,32)(H2,25,27,28)/t18-,19+,20-,24+/m0/s1
PubChem CID24949230
ChEMBLCHEMBL517017
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4768P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
4767P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
4769P2Y purinoceptor 6Q63371P2ry6Rattus norvegicus (Rat)328

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