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Ligand

NameCHEMBL417654
Molecular formulaC10H14N4O2
IUPAC name1,7-dimethyl-3-propylpurine-2,6-dione
Molecular weight222.248
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP0.8
Synonyms1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-3-propyl-
DHYGGYFMXYRIGJ-UHFFFAOYSA-N
7464-76-8
NSC400033
1,7-Dimethyl-3-propyl-3,7-dihydro-purine-2,6-dione
[ Show all ]
Inchi KeyDHYGGYFMXYRIGJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H14N4O2/c1-4-5-14-8-7(12(2)6-11-8)9(15)13(3)10(14)16/h6H,4-5H2,1-3H3
PubChem CID343627
ChEMBLCHEMBL417654
IUPHARN/A
BindingDB50001497
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
60477Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
60478Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
60476Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409
60479Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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