EcoDrugPlus


Synonyms	Anglian Bactrian Bansor Ceanel Cetavlex Cetavlon Cetavlon pc Cetrimide Cetrimide bromide Cetrimidum Cradocap Lissolamine v Medicaid Quammonium Richmond
Status
Molecule Category	Mixture
ATC	D08AJ04 D11AC01
UNII	8483H94W1E
EPA CompTox	DTXSID0044367

Synonyms

Anglian

Bactrian

Bansor

Ceanel

Cetavlex

Cetavlon

Cetavlon pc

Cetrimide

Cetrimide bromide

Cetrimidum

Cradocap

Lissolamine v

Medicaid

Quammonium

Richmond

Status

Molecule Category

Mixture

ATC

D08AJ04 D11AC01

UNII

8483H94W1E

EPA CompTox

DTXSID0044367


InChI Key	GLFDLEXFOHUASB-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCC[N+](C)(C)C
InChI	InChI=1S/C17H38N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4/h5-17H2,1-4H3/q+1

InChI Key

GLFDLEXFOHUASB-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCC[N+](C)(C)C

InChI

InChI=1S/C17H38N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4/h5-17H2,1-4H3/q+1

Property Name	Value
Molecular Formula	C17H38N+
Molecular Weight	256.5
AlogP	5.39
Number of Rotational Bond	13.0
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C17H38N+

Molecular Weight

256.5

AlogP

5.39

Number of Rotational Bond

13.0

Heavy Atoms

18.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Plasmodium falciparum	-	900	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Plasmodium falciparum

900

Resources	Reference
ChEBI	3565
ChEMBL	CHEMBL113150
FDA SRS	8483H94W1E
KEGG	C11279
SureChEMBL	SCHEMBL59988
ChEMBL	CHEMBL1180003
FDA SRS	Y3IR7RCT6J
SureChEMBL	SCHEMBL119448
ZINC	ZINC000006845519

Resources

Reference

ChEBI

ChEMBL

FDA SRS

KEGG

SureChEMBL

ChEMBL

FDA SRS

SureChEMBL

ZINC

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

CETRIMIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References