EcoDrugPlus


Synonyms	Decamethonium Decamethonium cation Decamethonium ion Syncurine
Status
Molecule Category	Free-form
UNII	C1CG1S3T2W
EPA CompTox	DTXSID5048394


InChI Key	MTCUAOILFDZKCO-UHFFFAOYSA-N
Smiles	C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
InChI	InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2

Property Name	Value
Molecular Formula	C16H38N2+2
Molecular Weight	258.49
AlogP	3.52
Number of Rotational Bond	11.0
Heavy Atoms	18.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-	0
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor	-	820	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	0

Resources	Reference
CAS NUMBER	156-74-1
ChEBI	41934
ChEMBL	CHEMBL1190
DrugBank	DB01245
DrugCentral	789
FDA SRS	C1CG1S3T2W
Human Metabolome Database	HMDB0015375
KEGG	C11733
PDB	DME
PharmGKB	PA164747980
PubChem	2968
SureChEMBL	SCHEMBL238400
ZINC	ZINC000001532339

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

DECAMETHONIUM

Structure

Physicochemical Descriptors

Pharmacology

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