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Ligand

NameCHEMBL10873
Molecular formulaC15H14N4O2
IUPAC name3-methyl-8-phenyl-1-prop-2-enyl-7H-purine-2,6-dione
Molecular weight282.303
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50020960
SCHEMBL9765909
1-allyl-3-methyl-8-phenylxanthine
1-Allyl-3-methyl-8-phenyl-3,7-dihydro-purine-2,6-dione
Inchi KeyMJCQAXMJLOGLCR-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H14N4O2/c1-3-9-19-14(20)11-13(18(2)15(19)21)17-12(16-11)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3,(H,16,17)
PubChem CID10379032
ChEMBLCHEMBL10873
IUPHARN/A
BindingDB50020960
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
206683Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
206684Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
206687Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
206685Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
206686Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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