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Ligand

NameCHEMBL48683
Molecular formulaC18H19N5OS
IUPAC name1-[2-(6-amino-9-methyl-8-thiophen-2-ylpurin-2-yl)ethynyl]cyclohexan-1-ol
Molecular weight353.444
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.2
Synonyms1-[[8-(2-Thienyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
Inchi KeyHIXOBFSLDIDLGG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19N5OS/c1-23-16(12-6-5-11-25-12)22-14-15(19)20-13(21-17(14)23)7-10-18(24)8-3-2-4-9-18/h5-6,11,24H,2-4,8-9H2,1H3,(H2,19,20,21)
PubChem CID10570068
ChEMBLCHEMBL48683
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
116124Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332

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