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Ligand

NameCHEMBL51394
Molecular formulaC20H21N5O
IUPAC name1-[2-(6-amino-9-methyl-8-phenylpurin-2-yl)ethynyl]cyclohexan-1-ol
Molecular weight347.422
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.5
Synonyms1-[(8-Phenyl-6-amino-9-methyl-9H-purine-2-yl)ethynyl]cyclohexanol
Inchi KeyCKFJHQMBLWWHAH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N5O/c1-25-18(14-8-4-2-5-9-14)24-16-17(21)22-15(23-19(16)25)10-13-20(26)11-6-3-7-12-20/h2,4-5,8-9,26H,3,6-7,11-12H2,1H3,(H2,21,22,23)
PubChem CID10807613
ChEMBLCHEMBL51394
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
43986Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332

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