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Ligand

NameCHEMBL3827201
Molecular formulaC29H42N6O3
IUPAC name1,3-dibutyl-9-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight522.694
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.0
SynonymsBDBM50187588
Inchi KeyDJMAOAZZXABOFN-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H42N6O3/c1-3-5-17-34-26-25(27(36)35(29(34)37)18-6-4-2)33-20-10-19-32(28(33)30-26)23-11-13-24(14-12-23)38-22-21-31-15-8-7-9-16-31/h11-14H,3-10,15-22H2,1-2H3
PubChem CID127045170
ChEMBLCHEMBL3827201
IUPHARN/A
BindingDB50187588
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
523332Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
523336Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
523331Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
523337Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
523334Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
523335Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
523333Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
523338Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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