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Ligand

NameCHEMBL297949
Molecular formulaC21H23N5O2
IUPAC name1-[2-[6-amino-8-(3-methoxyphenyl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol
Molecular weight377.448
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.5
Synonyms1-[[8-(3-Methoxyphenyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
Inchi KeyKXDJNDHBQIPNEE-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23N5O2/c1-26-19(14-7-6-8-15(13-14)28-2)25-17-18(22)23-16(24-20(17)26)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 CID10667322
ChEMBLCHEMBL297949
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
180374Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332

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