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Ligand

Name1,7-Dimethyl-3-isobutylxanthine
Molecular formulaC11H16N4O2
IUPAC name1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione
Molecular weight236.275
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP1.3
SynonymsDTXSID00321929
1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione
AKOS028113744
SCHEMBL1200300
3-Isobutyl-1,7-dimethyl-3,7-dihydro-purine-2,6-dione
[ Show all ]
Inchi KeyGJZLMIMXCYMPSI-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H16N4O2/c1-7(2)5-15-9-8(13(3)6-12-9)10(16)14(4)11(15)17/h6-7H,5H2,1-4H3
PubChem CID343637
ChEMBLCHEMBL25096
IUPHARN/A
BindingDB50025575
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
98407Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
98406Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409

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