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

Stem definitionDrug idCAS RN
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

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 94.96 59.48 19 394 5456 46680193
Irritable bowel syndrome 74.07 59.48 19 394 16496 46669153

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

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:35610 cytostatic
CHEBI has role CHEBI:35718 antifungal drug
CHEBI has role CHEBI:38498 mitochondrial complex i inhibitors
CHEBI has role CHEBI:48218 antiseptics

Drug Use (View source of the data)

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
Small conductance calcium-activated potassium channel protein 1 Ion channel BLOCKER IC50 6.40 IUPHAR
Small conductance calcium-activated potassium channel protein 3 Ion channel IC50 5.89 CHEMBL
Protein kinase C alpha type Kinase IC50 4.96 CHEMBL
cGMP-gated cation channel alpha-1 Unclassified BLOCKER IC50 6.70 IUPHAR
Cyclic nucleotide-gated olfactory channel Unclassified 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 Unclassified BLOCKER IC50 6.80 IUPHAR

External reference:

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

Pharmaceutical products:

None