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

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Reported as 188-fold selctive against acetylcholinesterase (P22303) over butyrylcholinesterase (P06276) [3].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
acetylcholinesterase (Cartwright blood group) Hs Inhibitor Inhibition 7.7 – 8.3 pIC50 - 1-3
pIC50 7.7 – 8.3 [1-3]