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Ligand

NameCHEMBL50950
Molecular formulaC21H23N5O
IUPAC name1-[2-[6-amino-9-methyl-8-(3-methylphenyl)purin-2-yl]ethynyl]cyclohexan-1-ol
Molecular weight361.449
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
Synonyms1-[[8-(3-Methylphenyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
Inchi KeyIAYHLNUDZXVQRG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23N5O/c1-14-7-6-8-15(13-14)19-25-17-18(22)23-16(24-20(17)26(19)2)9-12-21(27)10-4-3-5-11-21/h6-8,13,27H,3-5,10-11H2,1-2H3,(H2,22,23,24)
PubChem CID10570586
ChEMBLCHEMBL50950
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
128863Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332

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