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Ligand

NameCHEMBL67110
Molecular formulaC17H17ClN4O2
IUPAC name7-(2-chloroethyl)-3-methyl-8-phenyl-1-prop-2-enylpurine-2,6-dione
Molecular weight344.799
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.4
SynonymsBDBM50113237
1-Allyl-7-(2-chloro-ethyl)-3-methyl-8-phenyl-3,7-dihydro-purine-2,6-dione
Inchi KeyFVAZHKWDYPFKQL-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H17ClN4O2/c1-3-10-22-16(23)13-15(20(2)17(22)24)19-14(21(13)11-9-18)12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3
PubChem CID11067937
ChEMBLCHEMBL67110
IUPHARN/A
BindingDB50113237
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
445215Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
87932Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
87933Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
87934Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332

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