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Inhibitor Report for: Aricept~Donepezil~E2020

Name Class
Aricept~Donepezil~E2020Type (4)
Other_Name (9)
Chemical_Nomenclature2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrochloride
FormulaC24H30ClNO3
CAS_number (2)
MW415.953
Paper (55)
Structure1EVE
7E3H
6O4W
4EY7
Theoretical_model3ACE
4ACE
CommentTreatment of Alzheimer Disease, trademark is Aricept
Reversible inhibitor of AChE but not of BChE
Gene_locus (2)
CID5741
3152
FamilyACHE
InChIKeyXWAIAVWHZJNZQQ-UHFFFAOYSA-N
CanonicalSMILESCOC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC.Cl
InChIInChI=1S/C24H29NO3.ClH/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-7,14-15,17,20H,8-13,16H2,1-2H3;1H
IupharLig6599
WikipediaDonepezil

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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