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Ligand

NameCHEMBL29272
Molecular formulaC11H16N4O3
IUPAC name1-(2-methoxyethyl)-3-propyl-7H-purine-2,6-dione
Molecular weight252.274
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP0.9
Synonyms1-(2-Methoxyethyl)-3-propylxanthine
1-(2-Methoxy-ethyl)-3-propyl-3,7-dihydro-purine-2,6-dione
BDBM50047239
Inchi KeyFBHONGRLTNTCIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H16N4O3/c1-3-4-14-9-8(12-7-13-9)10(16)15(11(14)17)5-6-18-2/h7H,3-6H2,1-2H3,(H,12,13)
PubChem CID10083557
ChEMBLCHEMBL29272
IUPHARN/A
BindingDB50047239
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
74199Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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