EcoDrugPlus


Synonyms	Miostin Neostigmine Neostigmine (cation) Neostigmine cation Neostigmine hydroxide Neostigmine ion
Status
Molecule Category	Free-form
ATC	N07AA01 S01EB06
UNII	3982TWQ96G
EPA CompTox	DTXSID1023360


InChI Key	ALWKGYPQUAPLQC-UHFFFAOYSA-N
Smiles	CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1
InChI	InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1

Property Name	Value
Molecular Formula	C12H19N2O2+
Molecular Weight	223.3
AlogP	1.94
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	29.54
Heavy Atoms	16.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	4.6	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Torpedo californica	-	4.6	-	-	-

Resources	Reference
CAS NUMBER	59-99-4
ChEBI	7514
ChEMBL	CHEMBL278020
DrugBank	DB01400
DrugCentral	1897
FDA SRS	3982TWQ96G
Human Metabolome Database	HMDB0015472
Guide to Pharmacology	8993
KEGG	C07258
PharmGKB	PA450611
PubChem	4456
SureChEMBL	SCHEMBL34419
ZINC	ZINC000000001792

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 23^rd March 2026

NEOSTIGMINE

Structure

Physicochemical Descriptors

Pharmacology

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