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Ligand

NameCHEMBL3827074
Molecular formulaC28H40N6O3
IUPAC name1,3-dibutyl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight508.667
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.6
SynonymsBDBM50187585
Inchi KeyZYNZMEVLODMRNO-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H40N6O3/c1-3-5-16-33-25-24(26(35)34(28(33)36)17-6-4-2)32-19-9-18-31(27(32)29-25)22-10-12-23(13-11-22)37-21-20-30-14-7-8-15-30/h10-13H,3-9,14-21H2,1-2H3
PubChem CID127045169
ChEMBLCHEMBL3827074
IUPHARN/A
BindingDB50187585
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
533889Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
533893Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
533888Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
533891Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
533886Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
533890Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
533887Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
533892Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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