This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
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Identification
- Summary
Triclosan is an antimicrobial agent in clinical setting for disinfection, and prevention of spread and growth of bacteria, fungus, and mildew.
- Brand Names
- Dermaprot Triclotrex-B, Ting
- Generic Name
- Triclosan
- DrugBank Accession Number
- DB08604
- Background
An aromatic ether that is phenol which is substituted at C-5 by a chloro group and at C-2 by a 2,4-dichlorophenoxy group. It is widely used as a preservative and antimicrobial agent in personal care products such as soaps, skin creams, toothpaste and deodorants as well as in household items such as plastic chopping boards, sports equipment and shoes.
- Type
- Small Molecule
- Groups
- Approved, Investigational
- Structure
Structure for Triclosan (DB08604)
- Weight
- Average: 289.542
Monoisotopic: 287.951162589 - Chemical Formula
- C12H7Cl3O2
- Synonyms
- 2,4,4'-Trichloro-2'-hydroxydiphenyl ether
- 5-Chloro-2-(2,4-dichloro-phenoxy)-phenol
- Triclosán
- Triclosan
- Triclosanum
- External IDs
- CH-3565
Pharmacology
- Indication
Triclosan is used in a variety of common household products, including soaps, mouthwashes, dish detergents, toothpastes, deodorants, and hand sanitizers. It is also used in health care settings in surgical scrubs and personnel hand washes.
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Used in combination to treat Acne Combination Product in combination with: Octasulfur (DB09353) •••••••••••• ••••• Used in combination to prevent Dental cavity Combination Product in combination with: Sodium fluoride (DB09325) ••• ••• Used in combination to prevent Dental plaque Combination Product in combination with: Sodium fluoride (DB09325) ••• ••• Used in combination to treat Dermabrasion Combination Product in combination with: Chloroxylenol (DB11121) ••• ••• ••••• Used in combination to prevent Gingivitis Combination Product in combination with: Sodium fluoride (DB09325) ••• ••• - Associated Therapies
- Contraindications & Blackbox Warnings
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Not Available
- Mechanism of action
Triclosan is a biocidal compound with multiple targets in the cytoplasm and membrane. At lower concentrations, however, triclosan appears bacteriostatic and is seen to target bacteria mainly by inhibiting fatty acid synthesis. Triclosan binds to enoyl-acyl carrier protein reductase enzyme (ENR). This complex has increased affinity for NAD+ and forms a ternary complex. This complex is unable to participate in fatty acid synthesis, weakening the cell membrane and causing cell death. Humans do not have an ENR enzyme, and thus are not affected.
Target Actions Organism UEnoyl-[acyl-carrier-protein] reductase [NADH] FabI Not Available Escherichia coli (strain K12) UEnoyl-[acyl-carrier-protein] reductase [NADH] Not Available Mycobacterium tuberculosis UEnoyl-[acyl-carrier-protein] reductase [NADH] FabI Not Available Helicobacter pylori (strain ATCC 700392 / 26695) UEnoyl-[acyl-carrier-protein] reductase [NADH] Not Available Bacillus anthracis UEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI Not Available Staphylococcus aureus (strain MRSA252) UNuclear receptor subfamily 1 group I member 2 Not Available Humans UAndrogen receptor Not Available Humans UNuclear receptor subfamily 1 group I member 3 inverse agonistHumans UPeroxisome proliferator-activated receptor gamma Not Available Humans UThyroid peroxidase weak inhibitorHumans - Absorption
A study conducted in 2000 demonstrated that low amounts of triclosan can be absorbed through skin and can enter the bloodstream.4 Triclosan is rapidly absorbed and distributed in the human body.5 Maximum concentrations are reached within three hours after oral intake. However, the metabolism and excretion of the compound is fast.
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
Triclosan is prone to phase II metabolism via sulfotransferase and glucuronosyltransferase enzymes (Wang et al., 2004). In humans the resulting conjugates are excreted primarily in urine.5
- Route of elimination
In one study, after in vivo topical application of a 64.5mM alcoholic solution of [(3)H]triclosan to rat skin, 12% radioactivity was recovered in the faeces, 8% in the carcass 1% in the urine, 30% in the stratum corneum and 26% was rinsed from the skin surface at 24 hours after application.4
- Half-life
The terminal plasma half life of triclosan is 21 h.5
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Oral LD50, Rat: 3700 mg/kg; Dermal LD50, Rabbit: 9300 mg/kg
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- No interactions found.
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- International/Other Brands
- DERMAPROT / Stri-Dex cleansing bar
- Brand Name Prescription Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Dermaprot Triclotrex-B Liquid 0.3 mg/100mL Topical Spai Sons Pharmaceutical International Cosmetics 2012-08-30 Not applicable US 
- Over the Counter Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image 1% Triclosan Anti-microbial Foaming Skin Cleanser Liquid 1.0 % Topical Deb Canada Inc. Not applicable Not applicable Canada 
1% Triclosan Anti-microbial Skin Cleanser Gel 1.0 % Topical Deb Canada Inc. Not applicable Not applicable Canada 1014 Foaming Antimicrobial Soap 0.003 mg/1mL Topical Abc Compounding Co. Inc. 2013-05-01 Not applicable US 3 in 1 Antibacterial Hair and Body Wash Solution 11.7 g/100mL Topical Kutol Products Company, Inc. 2013-11-06 2017-10-03 US A-Septic AS Gel Gel 0.3 % Topical HOE PHARMACEUTICALS SDN. BHD. 2020-09-08 Not applicable Malaysia 
- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Adasept Acne Gel Triclosan (0.5 %) + Salicylic acid (2 %) + Sodium thiosulfate (8 %) Lotion Topical Odan Laboratories Ltd 1974-12-31 Not applicable Canada Anti-bacterial 3pk Triclosan (0.15 g/100g) + Triclosan (0.15 g/100g) + Triclosan (0.15 g/100g) Kit Topical Greenbrier International, Inc. 2015-03-15 2016-10-10 US Anti-bacterial 3pk Triclosan (0.15 g/100g) + Triclosan (0.15 g/100g) + Triclosan (0.15 g/100g) Kit Topical Greenbrier International, Inc. 2015-03-15 2016-10-10 US Anti-bacterial 3pk Triclosan (0.15 g/100g) + Triclosan (0.15 g/100g) + Triclosan (0.15 g/100g) Kit Topical Greenbrier International, Inc. 2015-03-15 2016-10-10 US Anti-bacterial Deep Cleansing Hand Soap Triclosan (0.3 % w/w) + Ethanol (5.0 % w/w) Liquid Topical Beauty Avenues 2010-09-01 2012-07-16 Canada - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Chinese Herb Essence Bacteriostatic Foaming Agent Triclosan (0.11 g/100mL) Liquid Topical Jiangxi Renhetang pharmaceutical chain Co., Ltd. 2021-03-16 Not applicable US enMotion Antimicrobial with Moisturizers, Fragrance free, dye free Triclosan (4.5 mg/1mL) Soap Percutaneous Carroll Company 2009-10-02 2014-02-25 US enMotion Antimicrobial, with Moisturizers, Tranquil Aloe, Green Triclosan (4.5 mg/1mL) Soap Percutaneous Carroll Company 2009-10-02 2014-02-25 US Jisberry Antibacterial Hand Triclosan (2 g/500mL) Lotion Extracorporeal Hangzhou Xizi Sanitary Disinfection Medical Equipment Co., Ltd 2020-04-12 2020-04-30 US Jisberry Antibacterial Handlotion Triclosan (2 g/500mL) Lotion Extracorporeal Hangzhou Xizi Sanitary Disinfection Medical Equipment Co., Ltd 2020-04-12 Not applicable US
Categories
- ATC Codes
- D08AE04 — Triclosan
- D08AE — Phenol and derivatives
- D08A — ANTISEPTICS AND DISINFECTANTS
- D08 — ANTISEPTICS AND DISINFECTANTS
- D — DERMATOLOGICALS
- Drug Categories
- Anti-Infective Agents
- Anti-Infective Agents, Local
- Antiseptics and Disinfectants
- Benzene Derivatives
- Dermatologicals
- Ethers
- Fatty Acid Synthesis Inhibitors
- Hypolipidemic Agents
- Medicated Dressings
- Medicated Dressings With Antiinfectives
- Miscellaneous Local Anti-infectives
- Phenol and Derivatives
- Phenols
- Phenyl Ethers
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Diphenylethers
- Direct Parent
- Diphenylethers
- Alternative Parents
- Diarylethers / Phenoxy compounds / Phenol ethers / M-chlorophenols / Dichlorobenzenes / 1-hydroxy-4-unsubstituted benzenoids / 1-hydroxy-2-unsubstituted benzenoids / Aryl chlorides / Organochlorides / Hydrocarbon derivatives
- Substituents
- 1,3-dichlorobenzene / 1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / 3-chlorophenol / 3-halophenol / Aromatic homomonocyclic compound / Aryl chloride / Aryl halide / Chlorobenzene / Diaryl ether
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- aromatic ether, phenols, dichlorobenzene, monochlorobenzenes (CHEBI:164200) / a small molecule (CPD0-1227)
- Affected organisms
- Fungi, yeast and protozoans
- Bacteria
Chemical Identifiers
- UNII
- 4NM5039Y5X
- CAS number
- 3380-34-5
- InChI Key
- XEFQLINVKFYRCS-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
- IUPAC Name
- 5-chloro-2-(2,4-dichlorophenoxy)phenol
- SMILES
- OC1=CC(Cl)=CC=C1OC1=C(Cl)C=C(Cl)C=C1
References
- Synthesis Reference
Michael A. Mitchell, "Process For Producing Triclosan-Coated Superabsorbents." U.S. Patent US20120157302, issued June 21, 2012.
US20120157302- General References
- Russell AD: Whither triclosan? J Antimicrob Chemother. 2004 May;53(5):693-5. Epub 2004 Apr 8. [Article]
- Heath RJ, Rubin JR, Holland DR, Zhang E, Snow ME, Rock CO: Mechanism of triclosan inhibition of bacterial fatty acid synthesis. J Biol Chem. 1999 Apr 16;274(16):11110-4. [Article]
- Fan F, Yan K, Wallis NG, Reed S, Moore TD, Rittenhouse SF, DeWolf WE Jr, Huang J, McDevitt D, Miller WH, Seefeld MA, Newlander KA, Jakas DR, Head MS, Payne DJ: Defining and combating the mechanisms of triclosan resistance in clinical isolates of Staphylococcus aureus. Antimicrob Agents Chemother. 2002 Nov;46(11):3343-7. [Article]
- Moss T, Howes D, Williams FM: Percutaneous penetration and dermal metabolism of triclosan (2,4, 4'-trichloro-2'-hydroxydiphenyl ether). Food Chem Toxicol. 2000 Apr;38(4):361-70. [Article]
- Sandborgh-Englund G, Adolfsson-Erici M, Odham G, Ekstrand J: Pharmacokinetics of triclosan following oral ingestion in humans. J Toxicol Environ Health A. 2006 Oct;69(20):1861-73. doi: 10.1080/15287390600631706. [Article]
- ON THE FATE OF TRICLOSAN IN HUMANS [Link]
- External Links
- PDB Entries
- 1c14 / 1d7o / 1d8a / 1nhg / 1p45 / 1qg6 / 1qsg / 1uh5 / 2b35 / 2o2s … show 23 more
- MSDS
- Download (34.7 KB)
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample dataNot Available Completed Not Available Periodontal Disease / Type 2 Diabetes Mellitus 1 somestatus stop reason just information to hide Not Available Completed Treatment Prepubertal Labial Adhesions 1 somestatus stop reason just information to hide Not Available Completed Treatment Radiation Induced Fibrosis to the Head and Neck 1 somestatus stop reason just information to hide Not Available Completed Treatment Stroke 1 somestatus stop reason just information to hide Not Available Unknown Status Prevention Atopic Dermatitis 1 somestatus stop reason just information to hide
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Gel Topical 1.0 % Soap Topical 0.003 mg/1mL Solution Topical 11.7 g/100mL Liquid Topical 0.10 % Lotion Topical Solution Topical 1.15 mg/1mL Liquid Topical 0.3 g/10mL Liquid Topical 0.8 mL/1L Liquid Topical 0.3 g/100g Solution Topical 0.15 g/100g Gel; soap Topical .5 % Solution Topical 2 mg/1mL Spray Topical 0.5 % Liquid Topical 0.50 % Soap Topical 3 mg/1g Soap Topical 0.1 mL/100mL Liquid Topical 0.1 % w/w Lotion Topical 3 mg/1g Soap Topical .3 g/100mL Lotion Topical 0.3 g/100mL Liquid Topical 0.58 % Lotion Topical 0.30 % Solution Topical 0.70 g/1mL Liquid Topical 0.70 g/1mL Liquid Topical 0.30 mL/100mL Liquid Topical 0.115 mL/100mL Liquid Topical 0.476 mL/340mL Liquid Topical 1.15 mg/100mL Soap Topical .1 mL/100mL Soap Topical .888 mL/444mL Soap Topical 0.15 mL/100L Liquid Topical 2 g/1L Liquid Topical .04 mL/100mL Soap Topical 0.3 g/100g Gel Topical .55 % Soap Topical .115 kg/100L Liquid Topical 0.55 % Liquid Topical 0.46 mL/100mL Solution Topical 0.869 mL/289.82mL Liquid Topical 0.60 mL/100mL Liquid Topical 0.4600 mL/100mL Liquid Topical 0.10 % w/v Liquid Topical 0.1 % w/v Soap Topical 3.0 mg/1mL Solution Topical 0.46 mL/100mL Liquid Topical 0.15 kg/100L Soap Topical .886 mL/443mL Soap Topical 0.15 mg/1000mL Soap Topical 1.5 mg/1mL Soap Topical 0.15 g/100g Solution Topical 0.994 mL/331.22mL Lotion / shampoo Topical 0.1150 mL/100mL Lotion Topical 0.1150 mL/100mL Liquid Topical 0.115 L/100L Liquid Extracorporeal 2.5 mg/500mL Liquid Topical .115 kg/100L Liquid Topical 0.4 % w/w Lotion Topical 0.4 % w/w Solution Topical 0.6 mL/100mL Liquid Topical 0.1500 mL/100mL Soap Topical 3.0 g/946mL Soap Topical 0.75 g/237mL Soap Topical 0.3000 mL/100.0000mL Liquid Topical 0.15 L/100L Soap Topical 0.2 mg/100mL Solution Topical 0.15 mL/100mL Spray Topical 0.5 % w/w Swab Topical 0.2 g/100g Lotion Topical 0.3 % Solution Topical 0.3 % w/w Soap Topical 0.375 g/100mL Soap Topical 0.375 mg/100mL Soap Topical .8 % Soap Topical .75 % Lotion Topical .3 % Liquid Topical 0.19 % Cream Topical 0.3 g/100g Liquid Topical 0.15 g/100g Liquid Topical 0.025 mL/100mL Lotion Topical 0.15 g/100g Soap Topical 25 g/100g Soap Topical 3 mL/1000mg Liquid Topical 3 mL/1000mL Powder Topical 0.3 g Gel Topical 2.5 mg/1mL Cream Topical 0.3 % Liquid Topical .25 % Liquid Topical 0.4 % Lotion Topical 0.4 % Soap Topical 0.35 % Spray Topical 0.3 % Liquid Topical 0.0189 L/3.78L Liquid Topical 0.3 % Solution Topical 3.06 mg/1mL Solution Topical 0.2 % Soap Topical 0.25 g/100g Soap Topical 0.2 g/100mL Liquid Topical 0.5 mL/100mL Solution Topical 0.15 mL/1000mL Lotion Topical 0.1 % Lotion Topical .1 % Liquid Topical 1 g / 100 g Lotion Topical 0.6 % w/v Soap Topical 0.16 g/100g Lotion Topical 1.7 mg/1mL Liquid Topical 1.545 mg/1mL Cream Topical 0.30 mL/100mL Liquid Topical .30 mL/100mL Gel Topical 0.30 mL/100mL Gel Topical .3 % Liquid Topical 0.003 mL/1mL Liquid Topical 3 mg/1mL Liquid Topical 0.11 g/100mL Solution Topical 0.25 % Liquid Topical 0.25 % Liquid Topical 0.025 g/10mL Solution Topical 0.3 mg/100mL Soap Topical .15 g/100mL Lotion Topical .5 % Suspension Topical 0.3 % Soap Topical 0.76 % Gel Topical 0.5 mL/125mL Liquid Topical 1 g/100mL Cream Topical .3 % Paste, dentifrice Oral Gel, dentifrice Dental Paste, dentifrice Dental Liquid Topical 0.2 mg/100mL Liquid Topical 2 mg/100mL Lotion Topical 0.5 % Soap Topical 0.46 mL/100mL Soap Topical 1 mg/1g Soap Topical 0.1 g/100g Liquid Topical 1 mg/1mL Liquid Topical .70 mL/100mL Liquid Topical 7 mg/100mL Liquid Topical 0.70 mL/100mL Liquid Topical 7.57 mL/3.78L Soap Topical 1.0 mg/1mL Aerosol Topical 1 % Gel Topical Soap Topical .03 g/1g Liquid Topical 0.375 mL/100mL Liquid Topical 0.3 mg/100mL Cream Topical Liquid Topical 1 % Shampoo; solution Topical 0.5 % w/w Liquid Topical 3.1 mg/1mL Solution Topical 0.15 g/100mL Solution Topical 0.60 % Spray Topical 0.975 % Solution Topical 0.46 g/100mL Solution Topical 4.6 mg/1mL Solution Topical 0.46 mL/1000mL Solution Topical 0.46 mg/1000mL Solution Topical 0.46 % w/w Solution Topical 0.46 % Aerosol, foam Topical 2.94 ug/1mL Liquid Topical 0.15 mL/100mL Liquid Topical .5 % Liquid Topical 0.30 % Solution Topical 0.3 mL/100mL Solution Topical 10 mg/1mL Kit Topical Liquid Topical 0.2 g/100g Solution Topical 2.05 mg/1mL Solution Topical 10.35 mg/1mL Solution Topical 10.3 mg/1mL Liquid Topical 1.0 % Liquid Topical .46 g/100mL Soap Topical 4.5 mg/1mL Lotion Topical 7.5 mg/1mL Liquid Topical 0.46 mg/100mL Soap Topical 0.15 g/100mL Liquid Topical 0.46 g/100mL Cream Topical .5 % Liquid Topical 0.5 mg/100mL Solution Topical Liquid Topical 0.6 mL/100mL Liquid Topical 0.60 % Soap Topical 0.4600 mL/100.0000mL Soap Topical 0.6000 mL/100mL Liquid Topical 0.46 % w/w Liquid Topical .46 mg/1mL Liquid Topical 6 mg/1mL Soap Topical 0.004 g/1g Liquid Topical 0.3 g/100mL Soap Topical .003 g/1g Lotion Vaginal 0.12 g/100g Liquid Topical 5 mg/1mL Aerosol Topical 3 mg/1mL Liquid Topical 0.5 % Liquid Topical 0.3 % w/w Shampoo Topical 3 mg/1mL Aerosol Topical Soap Topical 0.0057 g/1g Soap Topical 1.0 g/100g Soap Topical 2.0 g/100g Solution Topical 0.06 g/1000g Liquid Topical 0.003 mg/1mL Aerosol, spray Topical Cream Soap Topical .3 % Gel Topical 0.15 mg/1mL Gel Topical 7.5 mg/500mg Soap Topical 0.5 mg/100mL Gel Percutaneous 2 mL/100mL Cloth Topical 0.5 % Liquid Topical 1 mL/100mL Solution Topical 0.15 mg/100mL Liquid Topical 0.33 % Liquid Topical 0.375 g/100mL Liquid Topical .9 g/300g Liquid Topical 3.15 g/1000mL Solution Topical 20.8 g/100mL Liquid Topical 0.32 % Liquid Topical .32 % Soap Topical 0.007 g/1mL Soap Topical 0.003 g/1mL Soap Topical 0.1500 mL/100.0000mL Shampoo Topical 1 g Soap Topical 0.0005 g/1g Liquid Topical .01 g/10mL Lotion Extracorporeal 2 g/500mL Lotion Topical 1.0 % Solution Topical 0.5 % Liquid Topical 7.5 mg/1mL Liquid Topical 0.75 g/100mL Liquid Topical 0.2 g/100mL Solution Topical 0.5 % w/w Solution Topical 2.5 g/1L Solution Topical 0.005 g/0.001L Liquid Extracorporeal 0.176 mg/100mL Liquid Extracorporeal 0.176 mg/80mL Solution Topical 1 % Cream Topical 0.2 % w/w Liquid Topical .2 mL/100mL Liquid Topical 0.25 g/100mL Liquid Topical 0.25 % w/w Gel Topical 10 mg/500mg Solution Topical 0.575 mL/500mL Lotion Topical 0.55 % Soap Topical 0.2 g/100g Liquid Topical 0.1 mL/100mL Liquid Topical 1.5 g/1L Soap Topical 6 mg/1mL Solution Topical 0.3 g/100mL Solution Topical 0.1 g/100mL Lotion Topical 0.2 % Gel Topical 0.1 % w/w Soap Topical 3.75 mg/1mL Soap Topical 0.375 g/100g Liquid Topical 0.5 g/1000mL Liquid Topical .2 % Solution Topical 1 g Liquid Topical 5 mg/1g Liquid Topical 7.5 mg/1g Gel Topical 0.3 % Solution Topical 80 g Soap Topical 3 mL/1000mL Liquid Topical 0.5 mL/250mL Liquid Topical 0.2 % w/w Liquid Topical 2 mg/1mL Soap Topical 3 mg/1mL Soap Topical 0.003 g/1g Lotion Topical 0.3 % w/w Gel Topical 0.55 mL/100mL Solution Buccal; Oropharyngeal Gel Buccal; Oral Liquid Topical 0.25 mL/100mL Soap Topical 0.3 mg/100mL Liquid Dental Liquid Topical 0.2 % Solution Topical .46 g/100mL Soap Topical .46 g/100mL Liquid Topical .6 % Soap Topical 1 % Soap Topical 318.975 mL/2126.5mL Gel Topical 1.5 mg/1mL Soap Percutaneous 4.5 mg/1mL Soap Topical 0.5 g/100g Liquid Topical 0.50 mg/100mL Liquid Topical .55 mL/100mL Soap Topical 0.115 g/100g Solution Topical 0.1 mg/100mL Liquid Topical 0.4 mL/100mL Soap Topical 0.2 mL/100mL Cloth Topical 0.15 % Liquid Topical 0.115 g/100g Solution Topical 18.9 g/100mL Soap Topical .562 mL/562mL Soap Topical 0.15 L/100L Soap Topical 0.003 mL/1mL Liquid Topical 3 mg/0.001L Liquid Topical 0.30 kg/100kg Liquid Topical 0.30 mg/100mL Lotion Topical .2 % Soap Topical 5 mg/1mL Cream Topical 1.5 g/1L Liquid Topical 0.15 % Liquid Topical 0.0015 mg/1mL Liquid Topical .003 mg/1mL Soap Topical 0.3 g/1L Spray Topical Swab Topical Solution Topical 0.00025 g/1g Lotion Topical 6 % w/w Oil Cutaneous Soap Topical 0.002 g/1mL Solution Topical 0.1 % Soap Topical 0.115 mL/100mL Soap Topical 0.6 mL/100mL Soap Topical 0.15 mL/100mL Liquid Topical 0.15 mg/100mL Liquid Topical 1.5 mg/1mL Liquid Topical 3.54 mL/118mL Lotion Topical 1 % w/w Soap Cutaneous 2 mg/1mL Soap Topical 0.25 g/100mL Liquid Topical .15 g/100mL Liquid Topical .1 % Liquid Topical 1.08 g/1L Liquid Topical 1 mg / g Liquid Topical 0.1 g / 100 g Liquid Topical 1.5 mg/100mL Gel Topical 0.15 mL/100mL Solution Topical 0.25 % w/w Solution Topical 0.25 g/100mL Soap Topical 0.5 % Liquid Topical 2.5 mg/1mL Solution Topical .25 % Liquid Topical 0.3 mL/100mL Gel Topical 0.2 mL/100mL Gel Topical 3 mg/1mL Liquid Topical 3 g/1000mL Soap Topical 4.6 mg/1mL Soap Topical 0.46 g/100mL Soap Topical 0.3 g/100mL Liquid Topical 1.15 mg/1mL Soap Topical 0.5 mL/100mL Lotion Topical 1 % Soap Topical .5 % Liquid Topical 115 mg/100mL Liquid Topical 11.7 g/100mL Liquid Topical 0.375 % Liquid Topical 5 g/1L Liquid Topical 0.55 g/100mL Liquid Topical 5.5 g/1L Liquid Topical 0.55 % w/w Solution Topical 5 g/1L Liquid Topical 1.15 g/1L Liquid Topical Liquid Topical 0.46 mg/1mL Soap Topical 0.12 mL/100mL Lotion Topical 0.15 mL/100mL Lotion Topical .79 g/293g Liquid Topical 0.5 % w/w Liquid Topical .3 % Lotion Topical 0.3 g / 100 g Liquid Topical 1 % w/w Powder Topical 0.5 g Powder Topical Powder Topical 0.1 g Shampoo Topical Lotion Topical 0.2 % w/w Soap Topical 0.5 g/100mL Liquid Topical 3 g/1L Gel Topical 1 mg/1mL Liquid; shampoo Topical 0.5 % Soap Topical 2 g/1L Solution Topical 3 mg/1mL Cream Topical 0.3 g/100mL Cream Cutaneous 0.1000 g Cream Cutaneous Soap Topical 0.6 mL/100.0000mL Liquid Topical 4.6 mg/1mL Liquid Topical 0.5 g/100mL Paste Dental Lotion Topical .375 % Sponge Topical 5 mg/1mL Liquid Topical 29 mg/1mL Soap Topical 1.15 mg/1mL Gel Topical 0.3 g/100g Liquid Topical 300 mg/100mL Soap Topical 6 1/1mL Liquid Topical 1.2 mL/1L Lotion Topical 0.1 % w/w Spray Topical 1.2 mL/10mL Lotion Topical .4 % Soap Topical .002 g/1mL Solution Topical 0.3 % Soap Topical 6.6 1/443mL Soap Topical 3.3 mg/221mL Gel Topical 1 mg/237mg Powder Topical 0.2 g Soap Topical Liquid Topical 1.5 g/100g Liquid Topical 0.01 g/10mL Soap Topical 0.1 g/100mL Liquid Topical 0.1 % - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 55-57 °C MSDS boiling point (°C) 120 °C MSDS pKa 7.9 Merck Index 12:3, 2000 - Predicted Properties
Property Value Source Water Solubility 0.00605 mg/mL ALOGPS logP 5.53 ALOGPS logP 4.98 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 7.68 Chemaxon pKa (Strongest Basic) -3.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 29.46 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 68.69 m3·mol-1 Chemaxon Polarizability 25.92 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9941 Blood Brain Barrier + 0.9653 Caco-2 permeable + 0.8461 P-glycoprotein substrate Non-substrate 0.7545 P-glycoprotein inhibitor I Non-inhibitor 0.8094 P-glycoprotein inhibitor II Non-inhibitor 0.8656 Renal organic cation transporter Non-inhibitor 0.8261 CYP450 2C9 substrate Non-substrate 0.7708 CYP450 2D6 substrate Non-substrate 0.8807 CYP450 3A4 substrate Non-substrate 0.6205 CYP450 1A2 substrate Inhibitor 0.8668 CYP450 2C9 inhibitor Inhibitor 0.6565 CYP450 2D6 inhibitor Non-inhibitor 0.8851 CYP450 2C19 inhibitor Inhibitor 0.8943 CYP450 3A4 inhibitor Non-inhibitor 0.8979 CYP450 inhibitory promiscuity High CYP Inhibitory Promiscuity 0.7195 Ames test Non AMES toxic 0.9413 Carcinogenicity Non-carcinogens 0.7864 Biodegradation Not ready biodegradable 0.9368 Rat acute toxicity 2.0589 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.906 hERG inhibition (predictor II) Non-inhibitor 0.8289
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 147.837759 predictedDarkChem Lite v0.1.0 [M-H]- 147.747159 predictedDarkChem Lite v0.1.0 [M-H]- 152.35313 predictedDeepCCS 1.0 (2019) [M+H]+ 148.191059 predictedDarkChem Lite v0.1.0 [M+H]+ 148.290759 predictedDarkChem Lite v0.1.0 [M+H]+ 154.7454 predictedDeepCCS 1.0 (2019) [M+Na]+ 148.107659 predictedDarkChem Lite v0.1.0 [M+Na]+ 148.128859 predictedDarkChem Lite v0.1.0 [M+Na]+ 160.80428 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Catalyzes the reduction of a carbon-carbon double bond in an enoyl moiety that is covalently linked to an acyl carrier protein (ACP). Involved in the elongation cycle of fatty acid which are used in the lipid metabolism and in the biotin biosynthesis.
- Specific Function
- enoyl-[acyl-carrier-protein] reductase (NADH) activity
- Gene Name
- fabI
- Uniprot ID
- P0AEK4
- Uniprot Name
- Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
- Molecular Weight
- 27863.645 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Mycobacterium tuberculosis
- Pharmacological action
- Unknown
- General Function
- Enoyl-ACP reductase of the type II fatty acid syntase (FAS-II) system, which is involved in the biosynthesis of mycolic acids, a major component of mycobacterial cell walls (PubMed:25227413). Catalyzes the NADH-dependent reduction of the double bond of 2-trans-enoyl-[acyl-carrier protein], an essential step in the fatty acid elongation cycle of the FAS-II pathway (PubMed:7599116). Shows preference for long-chain fatty acyl thioester substrates (>C16), and can also use 2-trans-enoyl-CoAs as alternative substrates (PubMed:7599116). The mycobacterial FAS-II system utilizes the products of the FAS-I system as primers to extend fatty acyl chain lengths up to C56, forming the meromycolate chain that serves as the precursor for final mycolic acids (PubMed:25227413).
- Specific Function
- enoyl-[acyl-carrier-protein] reductase (NADH) activity
- Gene Name
- inhA
- Uniprot ID
- P9WGR1
- Uniprot Name
- Enoyl-[acyl-carrier-protein] reductase [NADH]
- Molecular Weight
- 28527.55 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Helicobacter pylori (strain ATCC 700392 / 26695)
- Pharmacological action
- Unknown
- General Function
- Catalyzes the reduction of a carbon-carbon double bond in an enoyl moiety that is covalently linked to an acyl carrier protein (ACP). Involved in the elongation cycle of fatty acid which are used in the lipid metabolism (By similarity).
- Specific Function
- enoyl-[acyl-carrier-protein] reductase (NADH) activity
- Gene Name
- fabI
- Uniprot ID
- O24990
- Uniprot Name
- Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
- Molecular Weight
- 29981.18 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Bacillus anthracis
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- enoyl-[acyl-carrier-protein] reductase (NADH) activity
- Gene Name
- fabI
- Uniprot ID
- A0A6L8PBX8
- Uniprot Name
- Enoyl-[acyl-carrier-protein] reductase [NADH]
- Molecular Weight
- 27740.225 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Staphylococcus aureus (strain MRSA252)
- Pharmacological action
- Unknown
- General Function
- Catalyzes the reduction of a carbon-carbon double bond in an enoyl moiety that is covalently linked to an acyl carrier protein (ACP). Involved in the elongation cycle of fatty acid which are used in the lipid metabolism (By similarity).
- Specific Function
- enoyl-[acyl-carrier-protein] reductase (NADH) activity
- Gene Name
- fabI
- Uniprot ID
- Q6GI75
- Uniprot Name
- Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI
- Molecular Weight
- 27991.645 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Nuclear receptor that binds and is activated by variety of endogenous and xenobiotic compounds. Transcription factor that activates the transcription of multiple genes involved in the metabolism and secretion of potentially harmful xenobiotics, drugs and endogenous compounds. Activated by the antibiotic rifampicin and various plant metabolites, such as hyperforin, guggulipid, colupulone, and isoflavones. Response to specific ligands is species-specific. Activated by naturally occurring steroids, such as pregnenolone and progesterone. Binds to a response element in the promoters of the CYP3A4 and ABCB1/MDR1 genes
- Specific Function
- DNA-binding transcription activator activity, RNA polymerase II-specific
- Gene Name
- NR1I2
- Uniprot ID
- O75469
- Uniprot Name
- Nuclear receptor subfamily 1 group I member 2
- Molecular Weight
- 49761.245 Da
References
- Kretschmer XC, Baldwin WS: CAR and PXR: xenosensors of endocrine disrupters? Chem Biol Interact. 2005 Aug 15;155(3):111-28. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Steroid hormone receptors are ligand-activated transcription factors that regulate eukaryotic gene expression and affect cellular proliferation and differentiation in target tissues (PubMed:19022849). Transcription factor activity is modulated by bound coactivator and corepressor proteins like ZBTB7A that recruits NCOR1 and NCOR2 to the androgen response elements/ARE on target genes, negatively regulating androgen receptor signaling and androgen-induced cell proliferation (PubMed:20812024). Transcription activation is also down-regulated by NR0B2. Activated, but not phosphorylated, by HIPK3 and ZIPK/DAPK3
- Specific Function
- androgen binding
- Gene Name
- AR
- Uniprot ID
- P10275
- Uniprot Name
- Androgen receptor
- Molecular Weight
- 99187.115 Da
References
- Christen V, Crettaz P, Oberli-Schrammli A, Fent K: Some flame retardants and the antimicrobials triclosan and triclocarban enhance the androgenic activity in vitro. Chemosphere. 2010 Nov;81(10):1245-52. doi: 10.1016/j.chemosphere.2010.09.031. Epub 2010 Oct 12. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Inverse agonist
- General Function
- Binds and transactivates the retinoic acid response elements that control expression of the retinoic acid receptor beta 2 and alcohol dehydrogenase 3 genes. Transactivates both the phenobarbital responsive element module of the human CYP2B6 gene and the CYP3A4 xenobiotic response element
- Specific Function
- DNA-binding transcription activator activity, RNA polymerase II-specific
- Gene Name
- NR1I3
- Uniprot ID
- Q14994
- Uniprot Name
- Nuclear receptor subfamily 1 group I member 3
- Molecular Weight
- 39942.145 Da
References
- Paul KB, Thompson JT, Simmons SO, Vanden Heuvel JP, Crofton KM: Evidence for triclosan-induced activation of human and rodent xenobiotic nuclear receptors. Toxicol In Vitro. 2013 Oct;27(7):2049-60. doi: 10.1016/j.tiv.2013.07.008. Epub 2013 Jul 27. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Nuclear receptor that binds peroxisome proliferators such as hypolipidemic drugs and fatty acids. Once activated by a ligand, the nuclear receptor binds to DNA specific PPAR response elements (PPRE) and modulates the transcription of its target genes, such as acyl-CoA oxidase. It therefore controls the peroxisomal beta-oxidation pathway of fatty acids. Key regulator of adipocyte differentiation and glucose homeostasis. ARF6 acts as a key regulator of the tissue-specific adipocyte P2 (aP2) enhancer. Acts as a critical regulator of gut homeostasis by suppressing NF-kappa-B-mediated pro-inflammatory responses. Plays a role in the regulation of cardiovascular circadian rhythms by regulating the transcription of BMAL1 in the blood vessels (By similarity)
- Specific Function
- alpha-actinin binding
- Gene Name
- PPARG
- Uniprot ID
- P37231
- Uniprot Name
- Peroxisome proliferator-activated receptor gamma
- Molecular Weight
- 57619.58 Da
References
- Fang M, Webster TF, Ferguson PL, Stapleton HM: Characterizing the peroxisome proliferator-activated receptor (PPARgamma) ligand binding potential of several major flame retardants, their metabolites, and chemical mixtures in house dust. Environ Health Perspect. 2015 Feb;123(2):166-72. doi: 10.1289/ehp.1408522. Epub 2014 Oct 14. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Weak inhibitor
- General Function
- Iodination and coupling of the hormonogenic tyrosines in thyroglobulin to yield the thyroid hormones T(3) and T(4)
- Specific Function
- calcium ion binding
- Gene Name
- TPO
- Uniprot ID
- P07202
- Uniprot Name
- Thyroid peroxidase
- Molecular Weight
- 102961.63 Da
References
- Leonard JA, Tan YM, Gilbert M, Isaacs K, El-Masri H: Estimating Margin of Exposure to Thyroid Peroxidase Inhibitors Using High-Throughput in vitro Data, High-Throughput Exposure Modeling, and Physiologically Based Pharmacokinetic/Pharmacodynamic Modeling. Toxicol Sci. 2016 May;151(1):57-70. doi: 10.1093/toxsci/kfw022. Epub 2016 Feb 10. [Article]
Drug created at September 15, 2010 21:33 / Updated at October 05, 2024 03:14