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dequalinium 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
quaternary ammonium compounds	4376	6707-58-0

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: dequalinium dequalinium chloride dequalinium dichloride	A topical bacteriostat that is available as various salts. It is used in wound dressings and mouth infections and may also have antifungal action, but may cause skin ulceration. Molecular weight: 456.68 Formula: C30H40N4 CLOGP: -2.95 LIPINSKI: 0 HAC: 4 HDO: 2 TPSA: 59.80 ALOGS: -9.04 ROTB: 11

Molecule

Description

Molfile Inchi Smiles

Synonyms:

dequalinium
dequalinium chloride
dequalinium dichloride

A topical bacteriostat that is available as various salts. It is used in wound dressings and mouth infections and may also have antifungal action, but may cause skin ulceration.

Molecular weight: 456.68
Formula: C30H40N4
CLOGP: -2.95
LIPINSKI: 0
HAC: 4
HDO: 2
TPSA: 59.80
ALOGS: -9.04
ROTB: 11

Drug dosage:

Dose	Unit	Route
20	mg	V
1.50	mg	O

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

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MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Inflammatory marker increased	103.05	59.62	20	386	6819	63481797

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FDA Adverse Event Reporting System (Male)

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MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Transposition of the great vessels	71.93	57.42	9	79	460	34956383

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FDA Adverse Event Reporting System (Geriatric)

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MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Inflammatory marker increased	64.04	44.45	14	389	10726	79733259

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FDA Adverse Event Reporting System (Pediatric)

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Pharmacologic Action:

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Source	Code	Description
ATC	D08AH01	DERMATOLOGICALS ANTISEPTICS AND DISINFECTANTS ANTISEPTICS AND DISINFECTANTS Quinoline derivatives
ATC	G01AC05	GENITO URINARY SYSTEM AND SEX HORMONES GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS Quinoline derivatives
ATC	R02AA02	RESPIRATORY SYSTEM THROAT PREPARATIONS THROAT PREPARATIONS Antiseptics
CHEBI has role	CHEBI:35610	antineoplastic agents
CHEBI has role	CHEBI:35718	antifungal agents
CHEBI has role	CHEBI:38498	mitochondrial complex I inhibitors
CHEBI has role	CHEBI:48218	antiseptics
MeSH PA	D000890	Anti-Infective Agents
MeSH PA	D000891	Anti-Infective Agents, Local

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Drug Use | Suggest Off label Use Form| |View source of the data|

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🐶 Veterinary Drug Use

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🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	4.92	Basic
pKa2	4.32	Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Bioact source
Protein kinase C alpha type	Kinase	P17252	KPCA_HUMAN		IC50	4.96	CHEMBL
Small conductance calcium-activated potassium channel protein 3	Ion channel	Q9UGI6	KCNN3_HUMAN		IC50	5.89	CHEMBL
Small conductance calcium-activated potassium channel protein 1	Ion channel	Q92952	KCNN1_HUMAN	BLOCKER	IC50	6.40	IUPHAR
cGMP-gated cation channel alpha-1	Ion channel	P29973	CNGA1_HUMAN	BLOCKER	IC50	6.70	IUPHAR
Cyclic nucleotide-gated olfactory channel	Ion channel	Q16280	CNGA2_HUMAN	BLOCKER	IC50	5.60	IUPHAR
Small conductance calcium-activated potassium channel protein 3	Ion channel		KCNN3_RAT		Ki	6.85	CHEMBL
Small conductance calcium-activated potassium channel protein 2	Ion channel		KCNN2_RAT	BLOCKER	IC50	6.80	IUPHAR

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External reference:

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ID	Source
DEQ	PDB_CHEM_ID
003481	NDDF
004966	NDDF
2313	IUPHAR_LIGAND_ID
2993	PUBCHEM_CID
3120	RXNORM
350274005	SNOMEDCT_US
395964006	SNOMEDCT_US
396013001	SNOMEDCT_US
522-51-0	SECONDARY_CAS_RN

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Pharmaceutical products:

None