dequalinium 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
quaternary ammonium compounds 4376 6707-58-0

Description:

MoleculeDescription

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:

DoseUnitRoute
20 mg V
1.50 mg O

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BRAF,BTK,CAMK2A,CAMK2B,CAMK2D,CAMK2G,CDK1,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FGFR1,FLT3,GRK2,GRK3,GSK3B,IGF1R,IKBKB,INSR,IRAK1,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K1,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K14,MAP3K21,MAP3K3,MAP3K7,MAP3K8,MAP4K1,MAP4K3,MAP4K5,MAPK1,MAPK10,MAPK12,MAPK14,MAPK7,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM1,PIM2,PIM3,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKCZ,PRKDC,SGK1,SIK2,SIK3,SRC,STK10,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 102
kinase-selectivity-class ACVR2B,AXL,BRAF,CAMK2D,CDK4,EIF2AK3,EPHB4,ERBB2,GRK2,MAP2K6,MAPK12,MAPK7,MARK4,PRKCD,SIK2,SIK3,STK33,TEK,TTK,ZAP70 20
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

None

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Inflammatory marker increased 102.38 52.35 20 424 9194 90618809
Stress 59.14 52.35 20 424 81375 90546628

FDA Adverse Event Reporting System (Male)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Transposition of the great vessels 72.39 53.68 9 93 456 42620777
Patent ductus arteriosus 54.30 53.68 9 93 3467 42617766

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Inflammatory marker increased 62.88 37.40 14 436 14455 110574394

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
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
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000891 Anti-Infective Agents, Local
CHEBI has role CHEBI:33282 antibacterial agent
CHEBI has role CHEBI:35610 antineoplastic agent
CHEBI has role CHEBI:35718 antifungal agent
CHEBI has role CHEBI:38498 mitochondrial NADH:ubiquinone reductase inhibitor
CHEBI has role CHEBI:48218 antiseptic drug

Related Drugs by ATC class:

D08AH Quinoline derivatives 3 drugs
chlorquinaldolclioquinoloxyquinoline
G01AC Quinoline derivatives 5 drugs
broxyquinolinechlorquinaldolclioquinoldiiodohydroxyquinolineoxyquinoline
R02AA Antiseptics 15 drugs
ambazonebenzalkoniumbenzethoniumcetrimoniumcetylpyridiniumchlorhexidinechlorquinaldoldichlorobenzyl alcoholeuflavinehexamidinehexylresorcinoloctenidine show all 15 →

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

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (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:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
Protein kinase C alpha type Kinase IC50 4.96 CHEMBL
Small conductance calcium-activated potassium channel protein 3 Ion channel IC50 5.89 CHEMBL
Small conductance calcium-activated potassium channel protein 1 Ion channel BLOCKER IC50 6.40 IUPHAR
cGMP-gated cation channel alpha-1 Ion channel BLOCKER IC50 6.70 IUPHAR
Cyclic nucleotide-gated olfactory channel Ion channel BLOCKER IC50 5.60 IUPHAR
Small conductance calcium-activated potassium channel protein 3 Ion channel Ki 6.85 CHEMBL
Small conductance calcium-activated potassium channel protein 2 Ion channel BLOCKER IC50 6.80 IUPHAR

External reference:

IDSource
D01575 KEGG_DRUG
N0000166911 NUI
C0011588 UMLSCUI
DEQ PDB_CHEM_ID
CHEMBL333826 ChEMBL_ID
CHEMBL121663 ChEMBL_ID
DB04209 DRUGBANK_ID
2313 IUPHAR_LIGAND_ID
522-51-0 SECONDARY_CAS_RN
E7QC7V26B8 UNII
2993 PUBCHEM_CID
3120 RXNORM
003481 NDDF
004966 NDDF
350274005 SNOMEDCT_US
395964006 SNOMEDCT_US
396013001 SNOMEDCT_US
D003868 MESH_DESCRIPTOR_UI
CHEBI:31466 CHEBI
746 INN_ID
E7QC7V26B8 INXIGHT DRUGS

Pharmaceutical products:

None