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Ligand

NameCHEMBL52276
Molecular formulaC21H20F3N5O
IUPAC name1-[2-[6-amino-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-yl]ethynyl]cyclohexan-1-ol
Molecular weight415.42
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.4
Synonyms1-[[8-[3-(Trifluoromethyl)phenyl]-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
1-[6-Amino-9-methyl-8-(3-trifluoromethyl-phenyl)-9H-purin-2-ylethynyl]-cyclohexanol
BDBM50095785
Inchi KeyFMTIKYIJMCQZIO-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20F3N5O/c1-29-18(13-6-5-7-14(12-13)21(22,23)24)28-16-17(25)26-15(27-19(16)29)8-11-20(30)9-3-2-4-10-20/h5-7,12,30H,2-4,9-10H2,1H3,(H2,25,26,27)
PubChem CID10621771
ChEMBLCHEMBL52276
IUPHARN/A
BindingDB50095785
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
82247Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
82248Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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