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dequalinium 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| quaternary ammonium compounds | 4376 | 6707-58-0 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
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.
|
Drug dosage:
| Dose | Unit | Route |
|---|---|---|
| 20 | mg | V |
| 1.50 | mg | O |
ADMET properties:
None
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| 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 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 | 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 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 | 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 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 | 62.88 | 37.40 | 14 | 436 | 14455 | 110574394 |
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| 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 |
| 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
G01AC Quinoline derivatives 5 drugs
R02AA Antiseptics 15 drugs
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 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:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA 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:
| ID | Source |
|---|---|
| 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