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Ligand

NameCHEMBL301512
Molecular formulaC20H20FN5O
IUPAC name1-[2-[6-amino-8-(2-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol
Molecular weight365.412
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.6
Synonyms1-[[8-(2-Fluorophenyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
1-[6-Amino-8-(2-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclohexanol
BDBM50095788
Inchi KeyOGMPGZVDXMCVJD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20FN5O/c1-26-18(13-7-3-4-8-14(13)21)25-16-17(22)23-15(24-19(16)26)9-12-20(27)10-5-2-6-11-20/h3-4,7-8,27H,2,5-6,10-11H2,1H3,(H2,22,23,24)
PubChem CID10618828
ChEMBLCHEMBL301512
IUPHARN/A
BindingDB50095788
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
240733Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
240734Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
240731Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
240732Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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