Peringatan Keamanan

The LD₅₀ was 18300 ug/kg following intraperitoneal administration and 70 mg/kg following subcutaneous administration in mice.^L42260 There is limited clinical experience of drug overdose with dequalinium. While dequalinium is generally well tolerated and considered as safe at recommended therapeutic doses, dequalinium is a neurotoxic agent and mitochondrial poison. At a high dose in mice, the drug caused damages to the liver and kidneys, and caused renal and hepatic failure.^A249255

Dequalinium

DB04209

small molecule approved investigational

Deskripsi

Dequalinium is an antibacterial agent with multi-targeted actions. It also possesses antifungal, antiparasitic, antiviral, anticancer, and neuroprotective properties.^A249255 It is a quaternary ammonium compound,^L42190 as it consists of an amphipathic cation with two aminoquinaldinium rings at both ends of a long hydrophobic hydrocarbon chain. Due to its flexible structure, dequalinium was investigated to build drug and gene delivery systems.^A249255

First used as an antiseptic and disinfectant in the 1950s, dequalinium is still found in various OTC products to treat conditions of oral infections and inflammation.^A249255 It is also used in vaginal tablets to treat bacterial vaginosis.^L42190

Struktur Molekul 2D

Berat 456.6654

Wujud solid

Peta Jejaring Molekuler

Obat Target Gen Interaksi Enzim Transporter Carrier

Legenda: Obat • Target • Gen • Enzim • (Panah → menunjukkan arah efek / relasi) • Transporter • Carrier

1. Pendahuluan & Konsep

Fitur visualisasi ini dikembangkan menggunakan pendekatan Graph Theory untuk memetakan hubungan polifarmasi dan molekuler. Entitas (Obat, Target, Gen) direpresentasikan sebagai Simpul (Nodes), sedangkan hubungan biologisnya sebagai Sisi (Edges).

2. Sumber Data (Validasi)

Data Obat: Diekstraksi dari elemen drugbank-id dan name pada skema XML DrugBank.
Target Protein: Diambil dari elemen targets/target yang memuat polipeptida sasaran.
Genetik: Disinkronisasi dari sub-elemen gene-name dan varian snp-effects.
Genetik: Jumlah titik node dibatasi pada maksimal 10 (Slice=10) interaksi untuk menghindari tumpukan data.

3. Algoritma Visualisasi

Tata letak grafik menggunakan algoritma Force-Directed Graph (Barnes-Hut). Model fisika ini menerapkan gaya tolak-menolak antar simpul (Gravitasi: -3000) agar tidak tumpang tindih, serta gaya pegas (Spring: 0.04) pada garis penghubung untuk fleksibilitas interaksi.

4. Legenda Visual

Obat Utama (Pusat Analisis)

Target Protein (Mekanisme)

Gen (Faktor Genetik)

Metode ini mendukung analisis Precision Medicine dan evaluasi risiko Drug-Drug Interaction (DDI).

Profil Farmakokinetik

Waktu Paruh (Half-Life) There is no information available.

Volume Distribusi There is no information available.

Klirens (Clearance) There is no information available.

Absorpsi

Following vaginal administration, dequalinium is not readily absorbed into the systemic circulation. The concentration of dequalinium chloride in vaginal fluid was 2000 to 4000 mg/L in vitro after dissolution of one vaginal tablet (equivalent of 10 mg dequalinium chloride) in an estimated 2.5 to 5 mg/L of vaginal fluid.^L42190

Metabolisme

There is no information available.

Rute Eliminasi

There is no information available.

Interaksi Obat

53 Data

Picosulfuric acid	The therapeutic efficacy of Picosulfuric acid can be decreased when used in combination with Dequalinium.
BCG vaccine	The therapeutic efficacy of BCG vaccine can be decreased when used in combination with Dequalinium.
Typhoid vaccine	The therapeutic efficacy of Typhoid vaccine can be decreased when used in combination with Dequalinium.
Dicoumarol	The risk or severity of bleeding can be increased when Dequalinium is combined with Dicoumarol.
Phenindione	The risk or severity of bleeding can be increased when Dequalinium is combined with Phenindione.
Warfarin	The risk or severity of bleeding can be increased when Dequalinium is combined with Warfarin.
Phenprocoumon	The risk or severity of bleeding can be increased when Dequalinium is combined with Phenprocoumon.
Acenocoumarol	The risk or severity of bleeding can be increased when Dequalinium is combined with Acenocoumarol.
4-hydroxycoumarin	The risk or severity of bleeding can be increased when Dequalinium is combined with 4-hydroxycoumarin.
Coumarin	The risk or severity of bleeding can be increased when Dequalinium is combined with Coumarin.
(R)-warfarin	The risk or severity of bleeding can be increased when Dequalinium is combined with (R)-warfarin.
Ethyl biscoumacetate	The risk or severity of bleeding can be increased when Dequalinium is combined with Ethyl biscoumacetate.
Fluindione	The risk or severity of bleeding can be increased when Dequalinium is combined with Fluindione.
Clorindione	The risk or severity of bleeding can be increased when Dequalinium is combined with Clorindione.
Diphenadione	The risk or severity of bleeding can be increased when Dequalinium is combined with Diphenadione.
Tioclomarol	The risk or severity of bleeding can be increased when Dequalinium is combined with Tioclomarol.
(S)-Warfarin	The risk or severity of bleeding can be increased when Dequalinium is combined with (S)-Warfarin.
Lactulose	The therapeutic efficacy of Lactulose can be decreased when used in combination with Dequalinium.
Vibrio cholerae CVD 103-HgR strain live antigen	The therapeutic efficacy of Vibrio cholerae CVD 103-HgR strain live antigen can be decreased when used in combination with Dequalinium.
Estetrol	The therapeutic efficacy of Estetrol can be decreased when used in combination with Dequalinium.
Lidocaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Lidocaine.
Ropivacaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Ropivacaine.
Bupivacaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Bupivacaine.
Dyclonine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Dyclonine.
Procaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Procaine.
Prilocaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Prilocaine.
Proparacaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Proparacaine.
Meloxicam	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Meloxicam.
Oxybuprocaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Oxybuprocaine.
Cocaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Cocaine.
Mepivacaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Mepivacaine.
Levobupivacaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Levobupivacaine.
Diphenhydramine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Diphenhydramine.
Chloroprocaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Chloroprocaine.
Phenol	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Phenol.
Tetrodotoxin	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Tetrodotoxin.
Benzyl alcohol	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Benzyl alcohol.
Capsaicin	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Capsaicin.
Etidocaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Etidocaine.
Articaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Articaine.
Tetracaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Tetracaine.
Propoxycaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Propoxycaine.
Pramocaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Pramocaine.
Butamben	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Butamben.
Butacaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Butacaine.
Oxetacaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Oxetacaine.
Ethyl chloride	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Ethyl chloride.
Butanilicaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Butanilicaine.
Metabutethamine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Metabutethamine.
Quinisocaine	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Quinisocaine.
Cisatracurium	Dequalinium may increase the neuromuscular blocking activities of Cisatracurium.
Ambroxol	The risk or severity of methemoglobinemia can be increased when Dequalinium is combined with Ambroxol.
Fecal microbiota	The therapeutic efficacy of Fecal microbiota can be decreased when used in combination with Dequalinium.

Target Protein

Small conductance calcium-activated potassium channel protein 1 KCNN1

Cyclic nucleotide-gated channel alpha-2 CNGA2

Small conductance calcium-activated potassium channel protein 2 KCNN2

E3 ubiquitin-protein ligase XIAP XIAP

Cyclic nucleotide-gated channel alpha-1 CNGA1

Small conductance calcium-activated potassium channel protein 3 KCNN3

Calcium-activated potassium channel subunit alpha-1 KCNMA1

HTH-type transcriptional regulator QacR qacR

Response regulator RamR ramR

Protein kinase C PRKCA

Alpha-synuclein SNCA

L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase mshC

Calmodulin CALM1

Referensi & Sumber

Artikel (PubMed)

PMID: 26506926
Mendling W, Weissenbacher ER, Gerber S, Prasauskas V, Grob P: Use of locally delivered dequalinium chloride in the treatment of vaginal infections: a review. Arch Gynecol Obstet. 2016 Mar;293(3):469-84. doi: 10.1007/s00404-015-3914-8. Epub 2015 Oct 27.
PMID: 26348470
Timaner M, Bril R, Kaidar-Person O, Rachman-Tzemah C, Alishekevitz D, Kotsofruk R, Miller V, Nevelsky A, Daniel S, Raviv Z, Rotenberg SA, Shaked Y: Dequalinium blocks macrophage-induced metastasis following local radiation. Oncotarget. 2015 Sep 29;6(29):27537-54. doi: 10.18632/oncotarget.4826.
PMID: 22875343
Sancho P, Galeano E, Estan MC, Ganan-Gomez I, Boyano-Adanez Mdel C, Garcia-Perez AI: Raf/MEK/ERK signaling inhibition enhances the ability of dequalinium to induce apoptosis in the human leukemic cell line K562. Exp Biol Med (Maywood). 2012 Aug;237(8):933-42. doi: 10.1258/ebm.2012.011423. Epub 2012 Aug 8.
PMID: 21477862
Garcia-Perez AI, Galeano E, Nieto E, Sancho P: Dequalinium induces human leukemia cell death by affecting the redox balance. Leuk Res. 2011 Oct;35(10):1395-401. doi: 10.1016/j.leukres.2011.03.012. Epub 2011 Apr 8.
PMID: 24811390
Garcia-Perez AI, Galeano E, Nieto E, Estan MC, Sancho P: Dequalinium induces cytotoxicity in human leukemia NB4 cells by downregulation of Raf/MEK/ERK and PI3K/Akt signaling pathways and potentiation of specific inhibitors of these pathways. Leuk Res. 2014 Jul;38(7):795-803. doi: 10.1016/j.leukres.2014.01.009. Epub 2014 Jan 28.
PMID: 12404886
Della Casa V, Noll H, Gonser S, Grob P, Graf F, Pohlig G: Antimicrobial activity of dequalinium chloride against leading germs of vaginal infections. Arzneimittelforschung. 2002;52(9):699-705.
PMID: 2483904
D'Auria FD, Simonetti G, Strippoli V: Antimicrobial characteristics of a tincture of dequalinium chloride. Ann Ig. 1989 Sep-Oct;1(5):1227-41.
PMID: 3474661
Weiss MJ, Wong JR, Ha CS, Bleday R, Salem RR, Steele GD Jr, Chen LB: Dequalinium, a topical antimicrobial agent, displays anticarcinoma activity based on selective mitochondrial accumulation. Proc Natl Acad Sci U S A. 1987 Aug;84(15):5444-8.

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Link

Contoh Produk & Brand

Produk: 6 • International brands: 0

Produk

Dequadin

Lozenge • 0.25 mg • Oral • Canada • OTC • Approved
Dequadin Mint Loz 0.25mg

Lozenge • .25 mg / loz • Oral • Canada • OTC • Approved
Dequadin Oral Paint

Solution • 0.5 % w/v • Buccal • Canada • OTC • Approved
Dequadin Oral Paint .5%

Liquid • 0.5 % • Oral • Canada • OTC • Approved
Dequadin Oral Spray

Solution • 0.5 % w/v • Buccal • Canada • OTC • Approved
Vablys

Tablet • 10 mg • Vaginal • Canada • Approved

Sekuens Gen/Protein (FASTA)

Sekuens dimuat saat dibutuhkan agar halaman tetap ringan.