pyridostigmine   Click here for help

GtoPdb Ligand ID: 8994

Synonyms: Mestinon® | Regonol®
Approved drug
pyridostigmine is an approved drug (FDA (1955))
Compound class: Synthetic organic
Comment: Pyridostigmine is a peripherally acting, orally active reversible acetylcholinesterase (ACHE) inhibitor, with a slightly longer duration of action than neostigmine. Marketed formulations contain pyridostigmine bromide (PubChem CID 7550).
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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 3
Topological polar surface area 33.42
Molecular weight 181.1
XLogP 1.98
No. Lipinski's rules broken 0
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Canonical SMILES C[n+]1cccc(c1)OC(=O)N(C)C
Isomeric SMILES C[n+]1cccc(c1)OC(=O)N(C)C
InChI InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
acetylcholinesterase (Cartwright blood group) Hs Inhibitor Inhibition 6.4 pIC50 - 1
pIC50 6.4 (IC50 3.6x10-7 M) [1]
Description: Inhibition of human erythrocyte ACHE activity by a modified Ellman assay.
butyrylcholinesterase Hs Inhibitor Inhibition 6.1 pIC50 - 1
pIC50 6.1 (IC50 9x10-7 M) [1]
Description: Inhibition of human plasma BCHE activity by a modified Ellman assay.