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Ligand

NameCHEMBL51192
Molecular formulaC19H20FN5O
IUPAC name1-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-3-ethylpent-1-yn-3-ol
Molecular weight353.401
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.7
Synonyms1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-yl]-3-ethyl-pent-1-yn-3-ol
BDBM50095784
1-[8-(3-Fluorophenyl)-6-amino-9-methyl-9H-purine-2-yl]-3-ethyl-1-pentyne-3-ol
Inchi KeyNPLLJKJORHIIMF-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20FN5O/c1-4-19(26,5-2)10-9-14-22-16(21)15-18(23-14)25(3)17(24-15)12-7-6-8-13(20)11-12/h6-8,11,26H,4-5H2,1-3H3,(H2,21,22,23)
PubChem CID10665761
ChEMBLCHEMBL51192
IUPHARN/A
BindingDB50095784
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
229058Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
229056Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
229057Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
229059Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
229060Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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