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Ligand

NameCHEMBL343527
Molecular formulaC18H14N4O4
IUPAC name8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione
Molecular weight350.334
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.8
SynonymsBDBM50061944
8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1-propargyl-3-methylxanthine
8-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-3-methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione
Inchi KeyADESTIQKKYKDKN-FNORWQNLSA-N
Inchi IDInChI=1S/C18H14N4O4/c1-3-8-22-17(23)15-16(21(2)18(22)24)20-14(19-15)7-5-11-4-6-12-13(9-11)26-10-25-12/h1,4-7,9H,8,10H2,2H3,(H,19,20)/b7-5+
PubChem CID10617821
ChEMBLCHEMBL343527
IUPHARN/A
BindingDBN/A
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
2179Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
2180Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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