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Ligand

NameCHEMBL283412
Molecular formulaC11H16N4O2
IUPAC name7-ethyl-1-methyl-3-propylpurine-2,6-dione
Molecular weight236.275
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP0.7
Synonyms135462-18-9
7-Ethyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-dione
1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-1-methyl-3-propyl-
BDBM50001496
1-Methyl-3-propyl-7-ethylxanthine
Inchi KeyMBUIHYBKDMAGEF-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H16N4O2/c1-4-6-15-9-8(14(5-2)7-12-9)10(16)13(3)11(15)17/h7H,4-6H2,1-3H3
PubChem CID10243194
ChEMBLCHEMBL283412
IUPHARN/A
BindingDB50001496
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
201660Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
201658Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
201659Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409

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