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Ligand

NameCHEMBL48153
Molecular formulaC20H20FN5O
IUPAC name1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol
Molecular weight365.412
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.6
Synonyms1-[[8-(3-Fluorophenyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
BDBM50095793
PSJFQTPTZIHBKW-UHFFFAOYSA-N
1-{2-[6-amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl}-1-cyclohexanol
1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclohexanol
[ Show all ]
Inchi KeyPSJFQTPTZIHBKW-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20FN5O/c1-26-18(13-6-5-7-14(21)12-13)25-16-17(22)23-15(24-19(16)26)8-11-20(27)9-3-2-4-10-20/h5-7,12,27H,2-4,9-10H2,1H3,(H2,22,23,24)
PubChem CID9842054
ChEMBLCHEMBL48153
IUPHARN/A
BindingDB50095793
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
267649Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
267647Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
267646Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
267648Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
267645Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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