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Ligand

NameCHEMBL51829
Molecular formulaC19H20N6O
IUPAC name1-[2-(6-amino-9-methyl-8-pyridin-2-ylpurin-2-yl)ethynyl]cyclohexan-1-ol
Molecular weight348.41
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.5
Synonyms1-[[8-(2-Pyridyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
Inchi KeyGKLFVWBVLGOSKV-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20N6O/c1-25-17(13-7-3-6-12-21-13)24-15-16(20)22-14(23-18(15)25)8-11-19(26)9-4-2-5-10-19/h3,6-7,12,26H,2,4-5,9-10H2,1H3,(H2,20,22,23)
PubChem CID10665407
ChEMBLCHEMBL51829
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
98780Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332

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