donepezil   Click here for help

GtoPdb Ligand ID: 6599

Synonyms: Aricept® | E-2020
Approved drug
donepezil is an approved drug (FDA (1996))
Compound class: Synthetic organic
Comment: May be refered to as donepezil hydrochloride (PubChem CID 5741). In addition to the original brand, Aricept, generic donepezil formulations are now approved by the US FDA.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 38.77
Molecular weight 379.21
XLogP 3.67
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc2c(cc1OC)CC(C2=O)CC1CCN(CC1)Cc1ccccc1
Isomeric SMILES COc1cc2c(cc1OC)CC(C2=O)CC1CCN(CC1)Cc1ccccc1
InChI InChI=1S/C24H29NO3/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
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QSAR analyses of the substituted indanone and benzylpiperidine rings of a series of indanone-benzylpiperidine inhibitors of acetylcholinesterase.
J Med Chem, 35 (3): 584-9. [PMID:1738151]
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Acetylcholinesterase protection and the anti-diisopropylfluorophosphate efficacy of E2020.
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Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine.
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4. Sabbagh M, Cummings J, Christensen D, Doody R, Farlow M, Liu L, Mackell J, Fain R. (2013)
Evaluating the cognitive effects of donepezil 23 mg/d in moderate and severe Alzheimer's disease: analysis of effects of baseline features on treatment response.
BMC Geriatr, 13: 56. [PMID:23742728]