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Ligand

NameCHEMBL24444
Molecular formulaC13H16N4O2
IUPAC name1-methyl-3-(2-methylpropyl)-7-prop-2-ynylpurine-2,6-dione
Molecular weight260.297
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP1.1
Synonyms7-(2-Propynyl)-3-(2-methylpropyl)-1-methylxanthine
3-Isobutyl-1-methyl-7-prop-2-ynyl-3,7-dihydro-purine-2,6-dione
BDBM50025577
Inchi KeyMUSTVNJHZLJTNU-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H16N4O2/c1-5-6-16-8-14-11-10(16)12(18)15(4)13(19)17(11)7-9(2)3/h1,8-9H,6-7H2,2-4H3
PubChem CID44274635
ChEMBLCHEMBL24444
IUPHARN/A
BindingDB50025577
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
214637Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
214636Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409

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