EcoDrugPlus


Synonyms	Mestinon Pyridostigmine Pyridostigmine cation Pyridostigmine ion Regonol
Status
Molecule Category	Free-form
ATC	N07AA02
UNII	19QM69HH21
EPA CompTox	DTXSID20165786


InChI Key	RVOLLAQWKVFTGE-UHFFFAOYSA-N
Smiles	CN(C)C(=O)Oc1ccc[n+](C)c1
InChI	InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1

Property Name	Value
Molecular Formula	C9H13N2O2+
Molecular Weight	181.22
AlogP	0.57
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	33.42
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	13.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	50-82	-	-	59-93

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Electrophorus electricus	-	-	-	-	59-93
Torpedo californica	-	82	-	-	-

Resources	Reference
ChEBI	8665
ChEMBL	CHEMBL1115
DrugBank	DB00545
DrugCentral	2330
FDA SRS	19QM69HH21
Human Metabolome Database	HMDB0014685
Guide to Pharmacology	8994
KEGG	C07410
PharmGKB	PA451185
PubChem	4991
SureChEMBL	SCHEMBL1317
ZINC	ZINC000000002009

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

PYRIDOSTIGMINE

Structure

Physicochemical Descriptors

Pharmacology

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