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Ligand

NameCHEMBL63944
Molecular formulaC13H12N4O2
IUPAC name1-benzyl-3-methyl-7H-purine-2,6-dione
Molecular weight256.265
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.5
Synonyms1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-(phenylmethyl)-
DTXSID50473801
BDBM50113235
1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione
CTK0C3768
[ Show all ]
Inchi KeyYAYRUHPCXIPTID-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H12N4O2/c1-16-11-10(14-8-15-11)12(18)17(13(16)19)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15)
PubChem CID11821203
ChEMBLCHEMBL63944
IUPHARN/A
BindingDB50113235
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
405675Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
405672Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
405673Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
405674Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
405671Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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