donepezil

Ligand id: 6599

Name: donepezil

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 38.77
Molecular weight 379.21
XLogP 4.8
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Cardozo MG, Iimura Y, Sugimoto H, Yamanishi Y, Hopfinger AJ. (1992)
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]
2. Galli A, Mori F, Benini L, Cacciarelli N. (1994)
Acetylcholinesterase protection and the anti-diisopropylfluorophosphate efficacy of E2020.
Eur. J. Pharmacol.270 (2-3): 189-93. [PMID:8039548]
3. Luo W, Yu QS, Kulkarni SS, Parrish DA, Holloway HW, Tweedie D, Shafferman A, Lahiri DK, Brossi A, Greig NH. (2006)
Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine.
J. Med. Chem.49 (7): 2174-85. [PMID:16570913]
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 Geriatr13: 56. [PMID:23742728]