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Ligand

NameCHEMBL3827331
Molecular formulaC30H46N6O3
IUPAC name1,3-dibutyl-9-[2-[4-[2-(diethylamino)ethoxy]phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight538.737
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.3
SynonymsBDBM50187591
Inchi KeyPCGDFXCJWKWRNP-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H46N6O3/c1-5-9-18-35-27-26(28(37)36(30(35)38)19-10-6-2)34-20-11-17-33(29(34)31-27)21-16-24-12-14-25(15-13-24)39-23-22-32(7-3)8-4/h12-15H,5-11,16-23H2,1-4H3
PubChem CID127043828
ChEMBLCHEMBL3827331
IUPHARN/A
BindingDB50187591
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
528862Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
528864Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
528866Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
528868Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
528863Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
528865Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
528861Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
528867Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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