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Ligand

NameCHEMBL3828530
Molecular formulaC20H26N6O3
IUPAC name9-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight398.467
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.7
SynonymsBDBM50187597
Inchi KeyAHSLSUWOGCWHAY-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H26N6O3/c1-22(2)12-13-29-15-8-6-14(7-9-15)25-10-5-11-26-16-17(21-19(25)26)23(3)20(28)24(4)18(16)27/h6-9H,5,10-13H2,1-4H3
PubChem CID127043159
ChEMBLCHEMBL3828530
IUPHARN/A
BindingDB50187597
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
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GLASS IDNameUniProtGeneSpeciesLength
521634Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
521631Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
521633Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
521632Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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