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Ligand

NameCHEMBL50839
Molecular formulaC21H22FN5O2
IUPAC name1-[2-[6-amino-8-(3-fluoro-4-methoxyphenyl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol
Molecular weight395.438
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.6
Synonyms1-[[8-(3-Fluoro-4-methoxyphenyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
Inchi KeyYLWCPCUSGHFODT-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22FN5O2/c1-27-19(13-6-7-15(29-2)14(22)12-13)26-17-18(23)24-16(25-20(17)27)8-11-21(28)9-4-3-5-10-21/h6-7,12,28H,3-5,9-10H2,1-2H3,(H2,23,24,25)
PubChem CID10692075
ChEMBLCHEMBL50839
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
413348Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332

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