EcoDrugPlus


Synonyms	NC 1264 NC-1264 NSC-5648 Thonzide Thonzonium bromide Tonzonium bromide
Status
Molecule Category	Salt-form
UNII	JI2B19CR0R
EPA CompTox	DTXSID1045326

Synonyms

NC 1264

NC-1264

NSC-5648

Thonzide

Thonzonium bromide

Tonzonium bromide

Status

Molecule Category

Salt-form

UNII

JI2B19CR0R

EPA CompTox

DTXSID1045326


InChI Key	WBWDWFZTSDZAIG-UHFFFAOYSA-M
Smiles	CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1.[Br-]
InChI	InChI=1S/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30;/h19-25H,5-18,26-29H2,1-4H3;1H/q+1;/p-1

InChI Key

WBWDWFZTSDZAIG-UHFFFAOYSA-M

Smiles

CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1.[Br-]

InChI

InChI=1S/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30;/h19-25H,5-18,26-29H2,1-4H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C32H55BrN4O
Molecular Weight	591.72
AlogP	8.05
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	22.0
Polar Surface Area	38.25
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	37.0

Property Name

Value

Molecular Formula

C32H55BrN4O

Molecular Weight

591.72

AlogP

8.05

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

22.0

Polar Surface Area

38.25

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

37.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Unclassified protein	-	-	-	-	98-100

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Unclassified protein

98-100

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Escherichia coli	-	-	-	-	98-100

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Escherichia coli

98-100

Resources	Reference
ChEMBL	CHEMBL1200883
FDA SRS	JI2B19CR0R
PubChem	11102
SureChEMBL	SCHEMBL60801

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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...

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Last update: Monday, 3 November 2025

THONZONIUM BROMIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References