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Ligand

NameAC1OA4F2
Molecular formulaC13H12N4O3
IUPAC name8-(2-hydroxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione
Molecular weight272.264
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.1
Synonyms2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)phenolate
AKOS005710257
MLS000551582
STL057663
8-(2-hydroxyphenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
[ Show all ]
Inchi KeyAQYLAPWVIRRDFG-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-5-3-4-6-8(7)18/h3-6,18H,1-2H3,(H,14,15)
PubChem CID936355
ChEMBLCHEMBL415248
IUPHARN/A
BindingDB50020845
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
557635Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
557636Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
557637Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409

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