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Ligand

NameCHEMBL51107
Molecular formulaC20H20ClN5O
IUPAC name1-[2-[6-amino-8-(3-chlorophenyl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol
Molecular weight381.864
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.1
Synonyms1-[[8-(3-Chlorophenyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
Inchi KeyNWEDFHMSKUGASR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20ClN5O/c1-26-18(13-6-5-7-14(21)12-13)25-16-17(22)23-15(24-19(16)26)8-11-20(27)9-3-2-4-10-20/h5-7,12,27H,2-4,9-10H2,1H3,(H2,22,23,24)
PubChem CID10762430
ChEMBLCHEMBL51107
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
233614Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332

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