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Ligand

NameCHEMBL3827623
Molecular formulaC26H36N6O3
IUPAC name1,3-dipropyl-9-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight480.613
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50187586
Inchi KeyABDRPDMPTGJLDQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H36N6O3/c1-3-12-31-23-22(24(33)32(13-4-2)26(31)34)30-17-7-16-29(25(30)27-23)20-8-10-21(11-9-20)35-19-18-28-14-5-6-15-28/h8-11H,3-7,12-19H2,1-2H3
PubChem CID127045631
ChEMBLCHEMBL3827623
IUPHARN/A
BindingDB50187586
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
521465Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
521467Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
521468Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
521469Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
521463Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
521470Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
521464Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
521466Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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