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Ligand

NameCHEMBL296389
Molecular formulaC21H22FN5O
IUPAC name1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cycloheptan-1-ol
Molecular weight379.439
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.2
Synonyms1-[[8-(3-Fluorophenyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cycloheptanol
1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cycloheptanol
BDBM50095781
Inchi KeyWGYABTABLJZAOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22FN5O/c1-27-19(14-7-6-8-15(22)13-14)26-17-18(23)24-16(25-20(17)27)9-12-21(28)10-4-2-3-5-11-21/h6-8,13,28H,2-5,10-11H2,1H3,(H2,23,24,25)
PubChem CID10691124
ChEMBLCHEMBL296389
IUPHARN/A
BindingDB50095781
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
373070Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
373072Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
373071Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
373073Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332

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