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Ligand

Name1-Methyl-3-butylxanthine
Molecular formulaC10H14N4O2
IUPAC name3-butyl-1-methyl-7H-purine-2,6-dione
Molecular weight222.248
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.3
Synonyms1H-Purine-2,6-dione, 3-butyl-3,9-dihydro-1-methyl-
AC1L53IU
SC 2764
3-butyl-1-methyl-3,7-dihydro-1h-purine-2,6-dione
31542-48-0
[ Show all ]
Inchi KeyKYWKJKVQLGANBH-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H14N4O2/c1-3-4-5-14-8-7(11-6-12-8)9(15)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
PubChem CID169316
ChEMBLCHEMBL130969
IUPHARN/A
BindingDB50001511
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
181512Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
181513Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409
181514Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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