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Ligand

NameCHEMBL106937
Molecular formulaC14H18N4O2
IUPAC name8-(dicyclopropylmethyl)-1,3-dimethyl-7H-purine-2,6-dione
Molecular weight274.324
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.3
Synonyms8-Dicyclopropylmethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
8-Dicyclopropylmethyl-1,3-dimethylxanthine
BDBM50004594
Inchi KeyFQSRZOFSPJPYGZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H18N4O2/c1-17-12-10(13(19)18(2)14(17)20)15-11(16-12)9(7-3-4-7)8-5-6-8/h7-9H,3-6H2,1-2H3,(H,15,16)
PubChem CID15667113
ChEMBLCHEMBL106937
IUPHARN/A
BindingDB50004594
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
85035Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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