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 ChEMBL and GtoPdb across species (New!)

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