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Ligand

NameCHEMBL561167
Molecular formulaC18H22N4O3
IUPAC name3-(3-methoxypropyl)-8-phenyl-1-propyl-7H-purine-2,6-dione
Molecular weight342.399
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50414366
Inchi KeyABIXUHSEHFCQMV-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H22N4O3/c1-3-10-22-17(23)14-16(21(18(22)24)11-7-12-25-2)20-15(19-14)13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3,(H,19,20)
PubChem CID45268927
ChEMBLCHEMBL561167
IUPHARN/A
BindingDB50414366
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
896Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
895Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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