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Ligand

NameCHEMBL52432
Molecular formulaC14H17N5O
IUPAC name1-[2-(6-amino-9-methylpurin-2-yl)ethynyl]cyclohexan-1-ol
Molecular weight271.324
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP0.9
Synonyms1-[(6-Amino-9-methyl-9H-purine-2-yl)ethynyl]cyclohexanol
Inchi KeyKWXSUKIAQGKUHD-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H17N5O/c1-19-9-16-11-12(15)17-10(18-13(11)19)5-8-14(20)6-3-2-4-7-14/h9,20H,2-4,6-7H2,1H3,(H2,15,17,18)
PubChem CID10754589
ChEMBLCHEMBL52432
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
180249Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332

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