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Ligand

NameCHEMBL26406
Molecular formulaC12H14N4O2
IUPAC name7-methyl-1,3-bis(prop-2-enyl)purine-2,6-dione
Molecular weight246.27
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP1.2
Synonyms1,3-diallyl-7-methylxanthine
BDBM50025574
1,3-Di(2-propenyl)-7-methylxanthine
D06YJN
102284-65-1
[ Show all ]
Inchi KeyYAUBCZNTZIWFJS-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H14N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h4-5,8H,1-2,6-7H2,3H3
PubChem CID44459941
ChEMBLCHEMBL26406
IUPHARN/A
BindingDB50025574
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
405557Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
405555Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409
405556Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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