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Ligand

Name1,3-Diisobutylxanthine
Molecular formulaC13H20N4O2
IUPAC name1,3-bis(2-methylpropyl)-7H-purine-2,6-dione
Molecular weight264.329
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.8
Synonyms1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-
CHEMBL26350
63908-24-7
LS-126573
1,3-Diisobutyl-3,7-dihydro-purine-2,6-dione
[ Show all ]
Inchi KeyIPUAJXHKDUKOCH-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H20N4O2/c1-8(2)5-16-11-10(14-7-15-11)12(18)17(13(16)19)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)
PubChem CID3048504
ChEMBLCHEMBL26350
IUPHARN/A
BindingDB50022731
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
138982Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
138981Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409

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