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Ligand

NameCHEMBL313780
Molecular formulaC17H24N4O2
IUPAC name8-(dicyclopropylmethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
Molecular weight316.405
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.2
Synonyms8-Dicyclopropylmethyl-3-isobutyl-1-methylxanthine
BDBM50004586
8-Dicyclopropylmethyl-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione
Inchi KeyGKLKHJBKPRFKON-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H24N4O2/c1-9(2)8-21-15-13(16(22)20(3)17(21)23)18-14(19-15)12(10-4-5-10)11-6-7-11/h9-12H,4-8H2,1-3H3,(H,18,19)
PubChem CID15667112
ChEMBLCHEMBL313780
IUPHARN/A
BindingDB50004586
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
98781Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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