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Ligand

NameCHEMBL318537
Molecular formulaC20H30N4O2
IUPAC name1,3-dibutyl-8-(dicyclopropylmethyl)-7H-purine-2,6-dione
Molecular weight358.486
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.4
Synonyms8-Dicyclopropylmethyl-1,3-dibutylxanthine
1,3-Dibutyl-8-dicyclopropylmethyl-3,7-dihydro-purine-2,6-dione
BDBM50004573
Inchi KeyGMRWZHXYIPEMGX-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H30N4O2/c1-3-5-11-23-18-16(19(25)24(20(23)26)12-6-4-2)21-17(22-18)15(13-7-8-13)14-9-10-14/h13-15H,3-12H2,1-2H3,(H,21,22)
PubChem CID15667111
ChEMBLCHEMBL318537
IUPHARN/A
BindingDB50004573
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
100154Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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