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Ligand

NameCHEMBL3827859
Molecular formulaC24H34N6O3
IUPAC name9-[2-[4-[2-(diethylamino)ethoxy]phenyl]ethyl]-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight454.575
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.8
SynonymsBDBM50187589
Inchi KeyLKZCACKRMPMZHI-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H34N6O3/c1-5-28(6-2)16-17-33-19-10-8-18(9-11-19)12-15-29-13-7-14-30-20-21(25-23(29)30)26(3)24(32)27(4)22(20)31/h8-11H,5-7,12-17H2,1-4H3
PubChem CID46893147
ChEMBLCHEMBL3827859
IUPHARN/A
BindingDB50187589
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
526947Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
526950Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
526944Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
526946Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
526943Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
526945Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
526948Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
526949Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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