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Ligand

NameCHEMBL38304
Molecular formulaC28H32N6O4
IUPAC name8-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-1-butyl-3,7-dihydropurine-2,6-dione
Molecular weight516.602
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50110992
LS-192550
8-{4-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethoxy]-phenyl}-1-butyl-3,7-dihydro-purine-2,6-dione
Inchi KeyAARZBDDJPFYPSG-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H32N6O4/c1-2-3-13-34-27(36)24-26(31-28(34)37)30-25(29-24)21-9-11-22(12-10-21)38-19-23(35)33-16-14-32(15-17-33)18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,29,30)(H,31,37)
PubChem CID10075248
ChEMBLCHEMBL38304
IUPHARN/A
BindingDB50110992
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
476Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
479Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
475Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
478Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
477Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
480Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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