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Ligand

NameCHEMBL130503
Molecular formulaC10H14N4O2
IUPAC name1-butyl-3-methyl-7H-purine-2,6-dione
Molecular weight222.248
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.3
Synonyms1H-Purine-2,6-dione, 1-butyl-3,9-dihydro-3-methyl-
XT-56
BDBM50001494
D00JBC
1-Butyl-3-methyl-3,7-dihydro-purine-2,6-dione
[ Show all ]
Inchi KeyGDRIWEXJHHARCU-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H14N4O2/c1-3-4-5-14-9(15)7-8(12-6-11-7)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
PubChem CID12905389
ChEMBLCHEMBL130503
IUPHARN/A
BindingDB50001494
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
93917Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
93916Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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