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Ligand

NameCHEMBL67060
Molecular formulaC11H15ClN4O2
IUPAC name7-(4-chlorobutyl)-1,3-dimethylpurine-2,6-dione
Molecular weight270.717
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP0.8
Synonyms7-(4-chlorobutyl)theophylline
1H-Purine-2,6-dione, 7-(4-chlorobutyl)-3,7-dihydro-1,3-dimethyl-
7-(4-Chloro-butyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
SCHEMBL10653255
BDBM50113246
[ Show all ]
Inchi KeyKQPGPPWKOYOFAY-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H15ClN4O2/c1-14-9-8(10(17)15(2)11(14)18)16(7-13-9)6-4-3-5-12/h7H,3-6H2,1-2H3
PubChem CID11780616
ChEMBLCHEMBL67060
IUPHARN/A
BindingDB50113246
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
175788Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
175785Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
175786Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
175787Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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