Dequalinium

Summary

Dequalinium (CHEMBL333826) is an approved small-molecule antifungal agent (ATC G01AC05) targeting KCNN1, KCNN2, and KCNN3.

At a glance

• Status: Approved (max clinical phase 4)
• Modality: Small molecule
• ATC class: G01AC05 (+2 more)
• Targets: 5 (KCNN1, KCNN2, KCNN3…)
• Clinical trials: 2
• Chemistry: 456.7 Da · C30H40N4+2

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL333826
Name	Dequalinium
Type	Small molecule
Max phase	4
FDA approved	no
PubChem CID	2993
ChEBI	CHEBI:41872
ATC	G01AC05, D08AH01, R02AA02
Molecular formula	C30H40N4+2
Molecular weight	456.7
InChIKey	PCSWXVJAIHCTMO-UHFFFAOYSA-P

SMILES: CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C

IUPAC name: 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine

ChEBI definition: A quinolinium ion comprising decane in which one methyl hydrogen at each end of the molecule has been replaced by a 4-amino-2-methylquinolin-1-yl group.

Pharmacological roles (ChEBI): antifungal agent, antineoplastic agent, antiseptic drug, mitochondrial NADH:ubiquinone reductase inhibitor.

Also known as: Dequalinium, Dequalinium cation, SID11111064, SID11111065, SID11113637, SID90340946, SID124879872, SID50104538, dequalinium, SID225144172, DEQUALINIUM, DEQUALINIUM CHLORIDE

Parent form; salt/anhydrous children: CHEMBL121663, CHEMBL1256847

Patent coverage: 403 distinct patent families (1,116 SureChEMBL compound mentions), from 3 matched compound structure(s). One matched structure accounts for 1,103 (99%) of the total. Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Primary targets (GtoPdb curated mechanism): the Cancer dependency column is the DepMap CRISPR fitness signal (% of screened cell lines dependent on the target).

Gene	Target	Action	pAffinity	Cancer dependency	UniProt
KCNN1	KCa2.1	Antagonist	6.4	1.5%	Q92952
KCNN2	KCa2.2	Antagonist	6.8	0%	Q9H2S1
KCNN3	KCa2.3	Antagonist	4.5	0%	Q9UGI6
CNGA1	CNGA1	Antagonist	6.7	1.1%	P29973
CNGA2	CNGA2	Antagonist	5.6	0%	Q16280

Broader ChEMBL bioactivity targets: 49 (assay-derived). Sample: Tyrosyl-DNA phosphodiesterase 1, Microtubule-associated protein tau, Lysine-specific demethylase 4E, Nuclear receptor ROR-gamma, Survival motor neuron protein, Prelamin-A/C, ATP-dependent DNA helicase Q1, Inositol monophosphatase 1, 4’-phosphopantetheinyl transferase ffp, Thrombopoietin.

Bioactivity

ChEMBL activities: 46 potent at pChembl ≥ 5 of 79 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

Target	pChembl	Type	Value	Unit	Activity ID
ACHE	7.58	AC50	26.4	nM	CHEMBL_ACT_25143110
CHRM2	7.3	AC50	49.7	nM	CHEMBL_ACT_25196298
DRD3	7.1	AC50	79.8	nM	CHEMBL_ACT_25195068
HRH3	7.09	AC50	81.3	nM	CHEMBL_ACT_25200094
KCNH2	6.88	AC50	132.7	nM	CHEMBL_ACT_25118752
SLC6A4	6.73	AC50	185.4	nM	CHEMBL_ACT_25151889
ADRA2A	6.33	AC50	464.2	nM	CHEMBL_ACT_25156991
CHRM1	6.21	AC50	611.3	nM	CHEMBL_ACT_25210698
OPRM1	6.17	AC50	683.8	nM	CHEMBL_ACT_25158737
LMNA	6.1	Potency	794.3	nM	CHEMBL_ACT_3655608
SLC6A3	6.05	AC50	890.3	nM	CHEMBL_ACT_25125521
DRD1	5.98	AC50	1043	nM	CHEMBL_ACT_25115772
SLC6A2	5.83	AC50	1465	nM	CHEMBL_ACT_25146562
PTGS1	5.8	AC50	1567	nM	CHEMBL_ACT_25206716
CYP3A4	5.8	Potency	1585	nM	CHEMBL_ACT_4949238
CYP3A4	5.8	Potency	1585	nM	CHEMBL_ACT_5078587
CYP3A4	5.8	AC50	1585	nM	CHEMBL_ACT_6018387
P08482	5.75	Potency	1778	nM	CHEMBL_ACT_4803379
HIF1A	5.7	Potency	1995	nM	CHEMBL_ACT_4128991
HIF1A	5.7	Potency	1995	nM	CHEMBL_ACT_4520813
P51450	5.65	Potency	2239	nM	CHEMBL_ACT_4770618
P08482	5.65	Potency	2239	nM	CHEMBL_ACT_4853808
HTR1A	5.6	AC50	2526	nM	CHEMBL_ACT_25165586
PDE4A	5.5	AC50	3157	nM	CHEMBL_ACT_25207649
MAPT	5.5	Potency	3162	nM	CHEMBL_ACT_4026021
CYP3A4	5.5	Potency	3162	nM	CHEMBL_ACT_4989550
CYP3A4	5.5	Potency	3162	nM	CHEMBL_ACT_5054742
CYP3A4	5.5	AC50	3162	nM	CHEMBL_ACT_6044683
ADRA1A	5.49	AC50	3207	nM	CHEMBL_ACT_25219335
Q9F4F7	5.35	Potency	4467	nM	CHEMBL_ACT_4372028

Target pathways

Aggregated over 5 target gene(s): KCNN1, KCNN2, KCNN3, CNGA1, CNGA2.

Top Reactome pathways

11 total, by targets touching each:

Pathway	Targets	Genes
Neuronal System	3	KCNN1, KCNN2, KCNN3
Ca2+ activated K+ channels	3	KCNN1, KCNN2, KCNN3
Potassium Channels	3	KCNN1, KCNN2, KCNN3
Activation of the phototransduction cascade	1	CNGA1
Inactivation, recovery and regulation of the phototransduction cascade	1	CNGA1
Olfactory Signaling Pathway	1	CNGA2
VxPx cargo-targeting to cilium	1	CNGA2
Sensory processing of sound	1	KCNN2
Sensory processing of sound by outer hair cells of the cochlea	1	KCNN2
Acetylcholine inhibits contraction of outer hair cells	1	KCNN2
Sensory Perception	1	KCNN2

Dominant GO biological processes

GO term	Targets
monoatomic ion transport	5
monoatomic ion transmembrane transport	5
monoatomic cation transmembrane transport	5
potassium ion transport	4
potassium ion transmembrane transport	3
sodium ion transport	2
calcium ion transport	2
sensory perception of chemical stimulus	2
transmembrane transport	2
calcium ion transmembrane transport	2
chemical synaptic transmission	1
membrane repolarization during atrial cardiac muscle cell action potential	1
regulation of potassium ion transmembrane transport	1
visual perception	1
sodium ion transmembrane transport	1

Indications & clinical

Indications

0 indications (0 at ChEMBL trial phase 4).

Clinical trials

Total trials: 2.

Phase distribution

Phase	Trials
PHASE4	1
PHASE3	1

Top trials by phase / activity

NCT	Phase	Status	Title
NCT05788991	PHASE4	TERMINATED	Comparison of Dequalinium Chloride (Fluomizin) vs Oral Metronidazole for the Treatment of Bacterial Vaginosis
NCT01125410	PHASE3	COMPLETED	Comparative Study of Efficacy of 10 mg Dequalinium Chloride (Fluomizin) in the Local Treatment of Bacterial Vaginosis

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

No PharmGKB pharmacogenomic data curated for this drug.

Related molecules

Related molecules

Molecules sharing ≥1 of this drug’s curated primary targets, merged from two biobtree sources and ranked by shared-target count, then clinical phase: ChEMBL clinical-stage candidates (development phase ≥2) and PubChem drug-class bioactivity (approved / known drugs acting on the target). Deduplicated by drug name; the drug’s own salt forms are excluded. Note: for a drug with few primary targets a shared-target match can reflect off-target / promiscuous binding rather than the same therapeutic mechanism — the phase ordering surfaces bona-fide therapeutics first.

3 molecules share ≥1 primary target. Top 3 by shared-target count:

Molecule	Source	Status	Shared targets
CEPHARANTHINE	ChEMBL	Phase 2	KCNN2, KCNN3
Tubocurarine	PubChem	Approved	KCNN2, KCNN3
Riluzole	PubChem	Approved	KCNN3