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Ligand

NameCHEMBL304455
Molecular formulaC9H8N4O2
IUPAC name3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione
Molecular weight204.189
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP0.1
Synonyms3-methyl-1-propargylxanthine
1-Propargyl-3-methyl-7H-purine-2,6(1H,3H)-dione
3-Methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione
BDBM50042208
Inchi KeyHTCXWSNPZFYUKL-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H8N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)15/h1,5H,4H2,2H3,(H,10,11)
PubChem CID14978313
ChEMBLCHEMBL304455
IUPHARN/A
BindingDB50042208
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
123341Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
123339Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
123337Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
123338Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
123340Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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