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Ligand

NameCHEMBL3093226
Molecular formulaC21H27N5O3
IUPAC name1,3-diethyl-9-[2-(3-methoxyphenyl)ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight397.479
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.7
SynonymsN/A
Inchi KeyAEBWPOSDBZMZEE-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27N5O3/c1-4-24-18-17(19(27)25(5-2)21(24)28)26-12-7-11-23(20(26)22-18)13-10-15-8-6-9-16(14-15)29-3/h6,8-9,14H,4-5,7,10-13H2,1-3H3
PubChem CID72698084
ChEMBLCHEMBL3093226
IUPHARN/A
BindingDBN/A
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
3323Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
3322Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
3324Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
441842Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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