EcoDrugPlus


Synonyms	Distigmine Distigmine cation Distigmine ion
Status
Molecule Category	Free-form
ATC	N07AA03
UNII	T940307O7B
EPA CompTox	DTXSID00169484

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SubStructure

Threshold (%) >= 70


InChI Key	AHZBEVXBKNYXPU-UHFFFAOYSA-N
Smiles	CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1
InChI	InChI=1S/C22H32N4O4/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20/h9-14,17-18H,5-8,15-16H2,1-4H3/q+2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C22H32N4O4+2
Molecular Weight	416.52
AlogP	2.46
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	9.0
Polar Surface Area	66.84
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	30.0

Mechanism of Action	Action	Reference
Acetylcholinesterase inhibitor	INHIBITOR	PubMed

Target Conservation


Protein: Acetylcholinesterase Description: Acetylcholinesterase Organism : Homo sapiens P22303 ENSG00000087085

Cross References

Resources	Reference
ChEBI	80756
ChEMBL	CHEMBL1199307
DrugBank	DB13694
DrugCentral	927
FDA SRS	T940307O7B
KEGG	C16823
PubChem	3116
SureChEMBL	SCHEMBL16674116
ZINC	ZINC000003872328

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

DISTIGMINE

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References