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Ligand

NameCHEMBL49925
Molecular formulaC21H20N6O
IUPAC name3-[6-amino-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-methylpurin-8-yl]benzonitrile
Molecular weight372.432
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.2
Synonyms1-[[8-(3-Cyanophenyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
BDBM50095787
3-[6-Amino-2-(1-hydroxy-cyclohexylethynyl)-9-methyl-9H-purin-8-yl]-benzonitrile
Inchi KeyKEDWXTLTOUMRQH-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20N6O/c1-27-19(15-7-5-6-14(12-15)13-22)26-17-18(23)24-16(25-20(17)27)8-11-21(28)9-3-2-4-10-21/h5-7,12,28H,2-4,9-10H2,1H3,(H2,23,24,25)
PubChem CID10761800
ChEMBLCHEMBL49925
IUPHARN/A
BindingDB50095787
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
166967Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
166966Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
166968Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
166969Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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