Halicin

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H3N5O2S3
Molecular Weight	261.305
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Halicin

Structure Search

SMILES

NC1=NN=C(SC2=NC=C(S2)[N+]([O-])=O)S1

InChI

InChIKey=NQQBNZBOOHHVQP-UHFFFAOYSA-N

InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8)

HIDE SMILES / InChI

Molecular Formula	C5H3N5O2S3
Molecular Weight	261.305
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
c-Jun N-terminal kinase, JNK 7 Target ID: CHEMBL2096667 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19271755	Inhibitor 8504		0.7 µM [IC50]

PubMed

PubMed

Title	Date	PubMed
Design, synthesis, and structure-activity relationship of substrate competitive, selective, and in vivo active triazole and thiadiazole inhibitors of the c-Jun N-terminal kinase.	2009-04-09	19271755

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:44:16 GMT 2025` Edited by `admin` on `Wed Apr 02 08:44:16 GMT 2025`
Record UNII	Y4KQC5P9B2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SU-3327

Preferred Name

English

Halicin

Common Name

English

5-[(5-Nitro-2-thiazolyl)thio]-1,3,4-thiadiazol-2-amine

Systematic Name

English

1,3,4-Thiadiazol-2-amine, 5-[(5-nitro-2-thiazolyl)thio]-

Systematic Name

English

SU3327

Code

English

Code System Code Type Description

EPA CompTox

DTXSID70474254

Created by admin on Wed Apr 02 08:44:16 GMT 2025 , Edited by admin on Wed Apr 02 08:44:16 GMT 2025

PRIMARY

CAS

40045-50-9

Created by admin on Wed Apr 02 08:44:16 GMT 2025 , Edited by admin on Wed Apr 02 08:44:16 GMT 2025

PRIMARY

FDA UNII

Y4KQC5P9B2

Created by admin on Wed Apr 02 08:44:16 GMT 2025 , Edited by admin on Wed Apr 02 08:44:16 GMT 2025

PRIMARY

PUBCHEM

11837140

Created by admin on Wed Apr 02 08:44:16 GMT 2025 , Edited by admin on Wed Apr 02 08:44:16 GMT 2025

PRIMARY

WIKIPEDIA

Halicin

Created by admin on Wed Apr 02 08:44:16 GMT 2025 , Edited by admin on Wed Apr 02 08:44:16 GMT 2025

PRIMARY

Related Record Type Details


					3F7R46VP0A

ACINETOBACTER BAUMANNII

TARGET ORGANISM->INHIBITOR

Amount:


					R0EM8D5HFD

MYCOBACTERIUM TUBERCULOSIS

TARGET ORGANISM->INHIBITOR

Amount:


					PJX89V9R6N

Clostridioides difficile

TARGET ORGANISM->INHIBITOR

Amount:

Related Record Type Details


					Y4KQC5P9B2

Halicin

ACTIVE MOIETY

Comments:

Retained bactericidal activity against antibiotic-tolerant E. coli and M. tuberculosis, as well as growth inhibitory properties against multidrug resistant Gram-negative clinical isolates. Dissipates the DpH Component of the Proton Motive Force

Amount: