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Ligand

Name830-65-9
Molecular formulaC8H10N4O2
IUPAC name1,3,8-trimethyl-7H-purine-2,6-dione
Molecular weight194.194
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP0.4
SynonymsCTK8C1834
MolPort-009-216-772
WZBKGWBHAPBSBF-UHFFFAOYSA-N
1,3,8-trimethyl-7H-purine-2,6-dione
3,7-Dihydro-1,3,8-trimethyl-1H-purine-2,6-dione
[ Show all ]
Inchi KeyWZBKGWBHAPBSBF-UHFFFAOYSA-N
Inchi IDInChI=1S/C8H10N4O2/c1-4-9-5-6(10-4)11(2)8(14)12(3)7(5)13/h1-3H3,(H,9,10)
PubChem CID95030
ChEMBLCHEMBL89062
IUPHARN/A
BindingDB50020853
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
385962Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
385963Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
385964Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409

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