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Ligand

NameCHEMBL299548
Molecular formulaC19H18FN5
IUPAC name2-(2-cyclopentylethynyl)-8-(3-fluorophenyl)-9-methylpurin-6-amine
Molecular weight335.386
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
Synonyms2-(Cyclopentylethynyl)-8-(3-fluorophenyl)-9-methyl-9H-purine-6-amine
Inchi KeyJZGOLBTTWAAMMN-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H18FN5/c1-25-18(13-7-4-8-14(20)11-13)24-16-17(21)22-15(23-19(16)25)10-9-12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6H2,1H3,(H2,21,22,23)
PubChem CID10688203
ChEMBLCHEMBL299548
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
163691Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332

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