Identification

Name
Iodine
Accession Number
DB05382
Description

Iodine is commonly used as an antiseptic for minor cuts and abrasions, preventing infections that may result from contaminated wounds. Additionally, iodine has been studied in the treatment of fibrocystic disease and breast cancer.1,2,3,4

Type
Small Molecule
Groups
Approved, Investigational
Structure
Thumb
Weight
Average: 253.8089
Monoisotopic: 253.80893684
Chemical Formula
I2
Synonyms
  • diiodine
  • I2
  • iodo
  • Jod
  • molecular iodine
External IDs
  • NSC-42355

Pharmacology

Indication

Investigated for use/treatment in breast disorders (unspecified) and pain (acute or chronic).

Associated Conditions
Associated Therapies
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More
Pharmacodynamics
Not Available
Mechanism of action

Molecular iodine is known to inhibit the induction and promotion of N-methyl-n-nitrosourea-induced mammary carcinogenesis, to regress 7,12-dimethylbenz(a)anthracene-induced breast tumors in rats.It has also been shown to have beneficial effects in fibrocystic human breast disease.

TargetActionsOrganism
ASodium/iodide cotransporter
substrate
Humans
AMicrobial proteins
unknown
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half-life
Not Available
Clearance
Not Available
Adverse Effects
Learn about our commercial Adverse Effects data.
Learn More
Toxicity
Not Available
Affected organisms
Not Available
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
  • Avoid goitrogenic foods. These include soy, cassava, cabbage, broccoli, cauliflower, and other cruciferous vegetables.

Products

International/Other Brands
IoGen
Brand Name Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Lugols SolutionLiquid0.4 g/1gTopicalGordon Laboratories2010-02-01Not applicableUS flag
Lugols SolutionSolution1 g/5gTransdermalPURTEX INC2017-01-27Not applicableUS flag
Sky-Living Water MT Activition LiquidLiquid2.5 g/100mLOralWings Biomedical Technology Co., Ltd.2015-10-15Not applicableUS flag
Additional Data Available
  • Application Number
    Application Number

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

    Learn more
  • Product Code
    Product Code

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

    Learn more
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Alphadine ScrubSolution7.5 mg/100mLTopicalEcolab Inc.2000-02-052018-01-17US flag
Colloidal IodineSolution2 g/100mLTopicalJCI INSTITUTE OF MEDICAL SCIENCE2014-08-27Not applicableUS flag
Colloidal Iodine OphthalmicSolution0.1 g/100mLTopicalJCI INSTITUTE OF MEDICAL SCIENCE2014-08-27Not applicableUS flag
Colloidal IodineinjectionSolution2 g/100mLSubcutaneousJCI INSTITUTE OF MEDICAL SCIENCE2019-09-14Not applicableUS flag
Foam Care Pvp Iodophor Surg Hand Scrub 0.75%LiquidTopicalBallard Medical Products1990-12-312008-09-17Canada flag
Iodin Ration Tab 0.15mgTabletOralNion Corp1977-12-311999-06-26Canada flag
Iodine 0.150 mgTabletOralGreat Earth Companies, Inc.1998-09-252002-10-02Canada flag
Iodine SeppTincture20 mg/1mLTopicalCare Fusion 213 Llc1988-02-012016-11-06US flag
Iodine Tab 3mgTabletOralTherapeutic Foods Co.1988-03-232009-07-24Canada flag
Iodine Tincture RojoSolution / drops20 mg/1mLTopicalDannso corp./d.b.a. Essential Products2015-08-08Not applicableUS flag
Additional Data Available
  • Application Number
    Application Number

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

    Learn more
  • Product Code
    Product Code

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

    Learn more
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Adult Formula 50+Iodine (0.15 mg) + Ascorbic acid (120 mg) + Beta carotene (3000 unit) + Biotin (30 mcg) + Calcium (220 mg) + Cholecalciferol (400 unit) + Chromium (10 mcg) + Copper (2 mg) + Cyanocobalamin (25 mcg) + Folic acid (0.4 mg) + Magnesium (100 mg) + Manganese (2.5 mg) + Molybdenum (10 mcg) + Nicotinamide (20 mg) + Calcium pantothenate (20 mg) + Potassium (37.5 mg) + Pyridoxine hydrochloride (6 mg) + Riboflavin (3.4 mg) + Selenium (10 mcg) + Thiamine hydrochloride (4.5 mg) + Vitamin A palmitate (3000 unit) + Zinc (15 mg) + alpha-Tocopherol acetate (60 unit)TabletOralWn Pharmaceuticals Ltd.2002-04-252009-09-28Canada flag
Alkadrenergy TabletsIodine (0.1 mg) + Ascorbic acid (60 mg) + Beta carotene (2500 unit) + Biotin (150 mcg) + Calcium (50 mg) + Choline (100 mg) + Chromic chloride (5 mcg) + Cyanocobalamin (45 mcg) + Folic acid (0.2 mg) + Inositol (25 mg) + Magnesium (50 mg) + Manganese (0.5 mg) + Molybdenum (3 mcg) + Nicotinamide (40 mg) + Pantothenic acid (15 mg) + Pyridoxine hydrochloride (6.25 mg) + Riboflavin (6.25 mg) + Sodium selenite (37.5 mcg) + Thiamine (6.25 mg) + Zinc (9 mg) + alpha-Tocopherol acetate (15 unit)TabletOralMorter HealthsystemNot applicableNot applicableCanada flag
Anaplex TabIodine (.05 mg) + Ascorbic acid (40 mg) + Calcium (160 mg) + Magnesium oxide (50 mg) + Nicotinamide (30 mg) + Calcium pantothenate (15 mg) + Phosphorus (75.33 mg) + Potassium chloride (20 mg) + Pyridoxine hydrochloride (40 mg) + Vitamin A palmitate (2000 unit) + Vitamin D (133.33 unit)TabletOralAnabolic Laboratories Inc.1975-12-311996-10-02Canada flag
B.E.T. ComplexIodine (0.15 mg) + Beta carotene (1250 unit) + Calcium ascorbate (75 mg) + Chromium (400 mcg) + Cyanocobalamin (100 mcg) + Folic acid (0.2 mg) + Magnesium (200 mg) + Manganese (5 mg) + Nicotinamide (35 mg) + Sodium metavanadate (75 mcg) + Ubidecarenone (10 mg) + Vitamin A palmitate (1250 unit) + alpha-Tocopherol succinate (50 unit)TabletOralAbundance Naturally Ltd2000-12-062004-06-30Canada flag
Blood Culture Prep KitIodine (20 mg/1mL) + Isopropyl alcohol (0.7 mL/1mL)KitTopicalCare Fusion 213 Llc1988-02-012016-07-25US flag
Chela Iron Plus C,b ComplexIodine (100 mcg) + Calcium ascorbate (100 mg) + Copper (2 mg) + Cyanocobalamin (30 mcg) + Folic acid (.4 mg) + Iron (50 mg) + Manganese (2 mg) + Nicotinamide (15 mg) + Pantothenic acid (15 mg) + Pyridoxine hydrochloride (5 mg) + Riboflavin (2 mg) + Thiamine hydrochloride (5 mg)TabletOralNu Life Nutrition Ltd.1986-12-312000-03-03Canada flag
Chelamins Plus TabIodine (.15 mg) + Calcium (350 mg) + Chromium (50 mcg) + Copper (1.5 mg) + Iron (15 mg) + Magnesium (175 mg) + Manganese (5 mg) + Phosphorus (75 mg) + Potassium (47.5 mg) + Selenium (25 mcg) + Vitamin D (200 unit) + Zinc (11.25 mg)TabletOralNu Life Nutrition Ltd.1988-12-312000-03-03Canada flag
Children's Chew Multi & Min TabIodine (.075 mg) + Ascorbic acid (30 mg) + Beta carotene (1250 unit) + Biotin (75 mcg) + Calcium (100 mg) + Choline bitartrate (5 mg) + Copper (1 mg) + Cyanocobalamin (5 mcg) + DL-alpha tocopheryl acetate (15 unit) + Ferrous gluconate (2.5 mg) + Magnesium (25 mg) + Manganese (.5 mg) + Nicotinamide (10 mg) + Calcium pantothenate (6.25 mg) + Potassium (.5 mg) + Potassium chloride (5 mg) + Pyridoxine hydrochloride (1.25 mg) + Riboflavin (1.25 mg) + Thiamine hydrochloride (1.25 mg) + Vitamin A palmitate (1250 unit) + Vitamin D (200 unit) + Zinc (1.25 mg)TabletOralNatrol, Inc.1995-12-312001-07-30Canada flag
Childrens Chewab Vitamin W Chel MineralsIodine (1 mg) + Ascorbic acid (75 mg) + Biotin (50 mcg) + Cyanocobalamin (10 mcg) + D-alpha-Tocopherol acetate (25 unit) + Folic acid (10 mcg) + Iron (5 mg) + Nicotinamide (10 mg) + Pantothenic acid (10 mg) + Pyridoxine (5 mg) + Riboflavin (5 mg) + Thiamine (5 mg) + Vitamin A (5000 unit) + Vitamin D (400 unit)TabletOralAnabolic Laboratories Inc.1981-12-311996-10-02Canada flag
Classic Swiss One 10 Multivitamin and Mineral TabIodine (0.1 mg) + Ascorbic acid (100 mg) + Biotin (10 mcg) + Calcium (125 mg) + Choline bitartrate (15 mg) + Chromium (25 mcg) + Copper (2 mg) + Cyanocobalamin (10 mcg) + Folic acid (1 mg) + Inositol (15 mg) + Iron (18 mg) + Magnesium (100 mg) + Manganese (5 mg) + Nicotinamide (20 mg) + Calcium pantothenate (10 mg) + Potassium (10 mg) + Pyridoxine hydrochloride (10 mg) + Racemethionine (20 mg) + Riboflavin (10 mg) + Selenium (50 mcg) + Thiamine mononitrate (10 mg) + Vitamin A (10000 unit) + Vitamin D (400 unit) + Vitamin E (10 unit) + Zinc (15 mg)TabletOralSwiss Herbal Remedies Ltd.1999-12-062005-09-09Canada flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Bal-Care DHAIodine (.223 mg/1) + Ascorbic acid (120 mg/1) + Beta carotene (2850 [iU]/1) + Calcium carbonate (219 mg/1) + Cholecalciferol (840 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (.012 mg/1) + DL-alpha tocopheryl acetate (3 mg/1) + Folic acid (1 mg/1) + Iron sucrose (1.35 mg/1) + Magnesium oxide (25 mg/1) + Nicotinamide (20 mg/1) + Omega-3 fatty acids (430 mg/1) + Pyridoxine hydrochloride (50 mg/1) + Riboflavin (4 mg/1) + Sodium feredetate (25.65 mg/1) + Thiamine mononitrate (1.8 mg/1) + Zinc oxide (25 mg/1)KitOralPru Gen Pharmaceuticals2012-05-01Not applicableUS flag
Bal-Care DHA EssentialIodine (.223 mg/1) + Ascorbic acid (120 mg/1) + Beta carotene (2850 [iU]/1) + Calcium carbonate (219 mg/1) + Cholecalciferol (840 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (.012 mg/1) + DL-alpha tocopheryl acetate (3 mg/1) + Folic acid (1 mg/1) + Iron sucrose (1.35 mg/1) + Magnesium oxide (25 mg/1) + Nicotinamide (20 mg/1) + Omega-3 fatty acids (374 mg/1) + Pyridoxine hydrochloride (50 mg/1) + Riboflavin (4 mg/1) + Sodium feredetate (25.65 mg/1) + Thiamine mononitrate (1.8 mg/1) + Zinc oxide (25 mg/1)KitOralPru Gen Pharmaceuticals2012-05-01Not applicableUS flag
Cavan AlphaIodine (220 ug/1) + Ascorbic acid (120 mg/1) + Beta carotene (3000 [iU]/1) + Calcium carbonate (230 mg/1) + Cholecalciferol (800 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (12 ug/1) + DL-alpha tocopheryl acetate (3 mg/1) + Folic acid (1 mg/1) + Iron (27 mg/1) + Magnesium oxide (25 mg/1) + Nicotinamide (20 mg/1) + Omega-3 fatty acids (300 mg/1) + Pyridoxine hydrochloride (50 mg/1) + Riboflavin (4 mg/1) + Thiamine mononitrate (1.8 mg/1) + Zinc oxide (25 mg/1)KitOralSeton Pharmaceuticals2010-07-012013-09-30US flag
CitraNatal AssureIodine (150 ug/1) + Ascorbic acid (120 mg/1) + Calcium citrate tetrahydrate (124 mg/1) + Cholecalciferol (400 [iU]/1) + Copper (2 mg/1) + Doconexent (300 mg/1) + Docusate sodium (50 mg/1) + Folic acid (1 mg/1) + Icosapent (0.75 mg/1) + Iron (35 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine hydrochloride (25 mg/1) + Riboflavin (3.4 mg/1) + Thiamine chloride (3 mg/1) + Vitamin E (30 [iU]/1) + Zinc (25 mg/1)OralMission Pharmacal Company2014-04-30Not applicableUS flag
CitraNatal AssureIodine (150 ug/1) + Ascorbic acid (120 mg/1) + Calcium citrate tetrahydrate (125 mg/1) + Cholecalciferol (400 [iU]/1) + Copper (2 mg/1) + Doconexent (300 mg/1) + Docusate sodium (50 mg/1) + Folic acid (1 mg/1) + Icosapent (0.75 mg/1) + Iron (35 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine hydrochloride (25 mg/1) + Riboflavin (3.4 mg/1) + Thiamine chloride (3 mg/1) + Vitamin E (30 [iU]/1) + Zinc (25 mg/1)KitOralMission Pharmacal2008-11-19Not applicableUS flag
CitraNatal EssenceIodine (150 ug/1) + Ascorbic acid (120 mg/1) + Calcium citrate tetrahydrate (140 mg/1) + Cholecalciferol (400 [iU]/1) + Copper (2 mg/1) + Doconexent (300 mg/1) + Folic acid (1 mg/1) + Icosapent (0.75 mg/1) + Iron (35 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine hydrochloride (25 mg/1) + Riboflavin (3.4 mg/1) + Thiamine chloride (3 mg/1) + Vitamin E (30 [iU]/1) + Zinc (25 mg/1)KitOralMission Pharmacal Company2020-07-07Not applicableUS flag
Colloidal IodineinjectionIodine (2 g/100mL)SolutionSubcutaneousJCI INSTITUTE OF MEDICAL SCIENCE2019-09-14Not applicableUS flag
Duet DHAIodine (220 ug/1) + Ascorbic acid (120 mg/1) + Beta carotene (2800 [iU]/1) + Calcium carbonate (200 mg/1) + Cholecalciferol (820 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (12 ug/1) + D-alpha-Tocopherol acetate (3 mg/1) + Folic acid (1 mg/1) + Iron (25 mg/1) + Magnesium oxide (25 mg/1) + Nicotinamide (20 mg/1) + Omega-3 fatty acids (400 mg/1) + Pyridoxine hydrochloride (50 mg/1) + Riboflavin (4 mg/1) + Thiamine mononitrate (1.8 mg/1) + Zinc oxide (25 mg/1)KitOralWh Nutritionals, Llc2011-09-092014-12-31US flag
Duet DHAIodine (220 ug/1) + Ascorbic acid (120 mg/1) + Beta carotene (2825 [iU]/1) + Calcium carbonate (200 mg/1) + Cholecalciferol (800 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (12 ug/1) + D-alpha-Tocopherol acetate (3 mg/1) + Folic acid (1 mg/1) + Iron (25 mg/1) + Magnesium oxide (25 mg/1) + Nicotinamide (20 mg/1) + Omega-3 fatty acids (430 mg/1) + Pyridoxine hydrochloride (45 mg/1) + Riboflavin (4 mg/1) + Thiamine mononitrate (1.8 mg/1) + Zinc oxide (25 mg/1)KitOralWh Nutritionals, Llc2011-09-092014-03-31US flag
Duet DHAIodine (220 ug/1) + Ascorbic acid (120 mg/1) + Beta carotene (2825 [iU]/1) + Calcium carbonate (200 mg/1) + Cholecalciferol (800 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (12 ug/1) + D-alpha-Tocopherol acetate (3 mg/1) + Folic acid (1 mg/1) + Iron (25 mg/1) + Magnesium oxide (25 mg/1) + Nicotinamide (20 mg/1) + Omega-3 fatty acids (400 mg/1) + Pyridoxine hydrochloride (45 mg/1) + Riboflavin (4 mg/1) + Thiamine mononitrate (1.8 mg/1) + Zinc oxide (25 mg/1)KitOralWh Nutritionals, Llc2011-09-092014-03-31US flag

Categories

ATC Codes
D08AG03 — Iodine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas.
Kingdom
Inorganic compounds
Super Class
Homogeneous non-metal compounds
Class
Homogeneous halogens
Sub Class
Not Available
Direct Parent
Homogeneous halogens
Alternative Parents
Not Available
Substituents
Homogeneous halogen
Molecular Framework
Not Available
External Descriptors
diatomic iodine (CHEBI:17606) / an inorganic compound (IODINE-MOLECULE)

Chemical Identifiers

UNII
9679TC07X4
CAS number
7553-56-2
InChI Key
PNDPGZBMCMUPRI-UHFFFAOYSA-N
InChI
InChI=1S/I2/c1-2
IUPAC Name
diiodane
SMILES
II

References

General References
  1. Shrivastava A, Tiwari M, Sinha RA, Kumar A, Balapure AK, Bajpai VK, Sharma R, Mitra K, Tandon A, Godbole MM: Molecular iodine induces caspase-independent apoptosis in human breast carcinoma cells involving the mitochondria-mediated pathway. J Biol Chem. 2006 Jul 14;281(28):19762-71. Epub 2006 May 5. [PubMed:16679319]
  2. Moreno-Vega A, Vega-Riveroll L, Ayala T, Peralta G, Torres-Martel JM, Rojas J, Mondragon P, Dominguez A, De Obaldia R, Avecilla-Guerrero C, Anguiano B, Delgado-Gonzalez E, Zambrano-Estrada X, Cuenca-Mico O, De La Puente Flores O, Varela-Echavarria A, Aceves C: Adjuvant Effect of Molecular Iodine in Conventional Chemotherapy for Breast Cancer. Randomized Pilot Study. Nutrients. 2019 Jul 17;11(7). pii: nu11071623. doi: 10.3390/nu11071623. [PubMed:31319484]
  3. Stoddard FR 2nd, Brooks AD, Eskin BA, Johannes GJ: Iodine alters gene expression in the MCF7 breast cancer cell line: evidence for an anti-estrogen effect of iodine. Int J Med Sci. 2008 Jul 8;5(4):189-96. doi: 10.7150/ijms.5.189. [PubMed:18645607]
  4. Rappaport J: Changes in Dietary Iodine Explains Increasing Incidence of Breast Cancer with Distant Involvement in Young Women. J Cancer. 2017 Jan 13;8(2):174-177. doi: 10.7150/jca.17835. eCollection 2017. [PubMed:28243321]
  5. McDonnell G, Russell AD: Antiseptics and disinfectants: activity, action, and resistance. Clin Microbiol Rev. 1999 Jan;12(1):147-79. [PubMed:9880479]
  6. DailyMed: CVS Iodine [Link]
  7. Drugs.com: Iodine tincture information [Link]
  8. Mayo Clinic: Topical iodine side effects [Link]
  9. NIH Statpearls: Physiology, thyroid hormone [Link]
  10. NIH StatPearls: Skin (integument) antiseptics [Link]
Human Metabolome Database
HMDB0000675
KEGG Drug
D00108
KEGG Compound
C01382
PubChem Compound
807
PubChem Substance
175426989
ChemSpider
785
RxNav
5933
ChEBI
17606
ChEMBL
CHEMBL1201225
PDBe Ligand
I2I
Wikipedia
Iodine
AHFS Codes
  • 92:01.00* — Herbs and Natural Products
  • 88:29.00* — Minerals
  • 84:04.92 — Miscellaneous Local Anti-infectives
PDB Entries
4r1t / 6pkg / 6uio

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedDiagnosticCoronary Artery Disease (CAD) / Coronary Stenosis1
4CompletedPreventionHysterectomy1
4CompletedPreventionTransient Hypothyroxinemia1
4RecruitingTreatmentHyperthyroidism, Autoimmune1
3CompletedTreatmentPlaque, Dental1
3TerminatedTreatmentDifferentiated Thyroid Cancer (DTC)1
3Unknown StatusTreatmentChronic Hepatitis C Virus (HCV) Infection1
3Unknown StatusTreatmentFibrocystic Changes of Breast / Fibrocystic Disease of Breast / Fibrocystic Mastopathy / Pain1
3Unknown StatusTreatmentNeoplasms, Thyroid1
3WithdrawnPreventionCesarean Section Complications1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
SolutionTopical60.61 % v/v
SolutionTopical7.5 mg/100mL
RinseOral6.8 %
Solution
KitOral
SolutionTopical0.1 g/100mL
SolutionSubcutaneous2 g/100mL
SolutionTopical540 mg/100mL
KitTopical
SolutionTopical700 mg/100g
LiquidTopical
LiquidOral
SolutionTopical
StripTopical
Tablet150 mcg
TinctureTopical20 mg/1mL
SolutionTopical2.5 g/100mL
Solution / dropsTopical
SprayTopical
TinctureTopical
Solution / dropsTopical20 mg/1mL
InsertVaginal20 mg
SolutionTopical2 g/100mL
TabletOral
LiquidOral
SolutionOral12.64 g/100mL
SolutionOral5 g/100mL
LiquidTopical0.4 g/1g
SolutionTransdermal1 g/5g
TabletOral8.3 mg
SolutionTopical1 g
SolutionOral350 mg
TabletOral
SolutionOphthalmic; Topical5 mg
Aerosol, sprayTopical0.1 g/1g
Tablet, film coatedOral
SolutionTopical2.1 g
LiquidTopical
Capsule, gelatin coatedOral
Tablet, coatedOral100 mg
LiquidIntravenous
LiquidOral2.5 g/100mL
Solution / dropsOral
Tablet, extended releaseOral
Injection, solutionIntravenous15 mcg/1mL
Injection, solutionIntravenous2 mcg/1mL
SolutionOral3 mcg/1mL
CapsuleOral
Tablet50 mg
LiquidVaginal
Tablet, chewableOral
Tablet, coatedOral
Capsule, liquid filledOral
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP1.36ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity26.68 m3·mol-1ChemAxon
Polarizability10.18 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9789
Blood Brain Barrier+0.9786
Caco-2 permeable+0.6632
P-glycoprotein substrateNon-substrate0.8984
P-glycoprotein inhibitor INon-inhibitor0.9714
P-glycoprotein inhibitor IINon-inhibitor0.9923
Renal organic cation transporterNon-inhibitor0.921
CYP450 2C9 substrateNon-substrate0.8498
CYP450 2D6 substrateNon-substrate0.7906
CYP450 3A4 substrateNon-substrate0.7855
CYP450 1A2 substrateNon-inhibitor0.615
CYP450 2C9 inhibitorNon-inhibitor0.812
CYP450 2D6 inhibitorNon-inhibitor0.8992
CYP450 2C19 inhibitorNon-inhibitor0.8566
CYP450 3A4 inhibitorNon-inhibitor0.9008
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.8954
Ames testNon AMES toxic0.8029
CarcinogenicityCarcinogens 0.7427
BiodegradationNot ready biodegradable0.7303
Rat acute toxicity3.0004 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9452
hERG inhibition (predictor II)Non-inhibitor0.971
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-776e7d808857b52aa594
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-776e7d808857b52aa594
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-776e7d808857b52aa594
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-9f41876d0a547fca8258
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-9f41876d0a547fca8258
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-9f41876d0a547fca8258

Targets

Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Substrate
General Function
Mediates iodide uptake in the thyroid gland.
Specific Function
Iodide transmembrane transporter activity
Gene Name
SLC5A5
Uniprot ID
Q92911
Uniprot Name
Sodium/iodide cotransporter
Molecular Weight
68665.63 Da
References
  1. Bizhanova A, Kopp P: Minireview: The sodium-iodide symporter NIS and pendrin in iodide homeostasis of the thyroid. Endocrinology. 2009 Mar;150(3):1084-90. doi: 10.1210/en.2008-1437. Epub 2009 Feb 5. [PubMed:19196800]
  2. NIH Statpearls: Physiology, thyroid hormone [Link]
2. Microbial proteins
Kind
Group
Organism
Not Available
Pharmacological action
Yes
Actions
Unknown
References
  1. NIH StatPearls: Skin (integument) antiseptics [Link]

Enzymes

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Substrate
General Function
Peroxidase activity
Specific Function
Iodination and coupling of the hormonogenic tyrosines in thyroglobulin to yield the thyroid hormones T(3) and T(4).
Gene Name
TPO
Uniprot ID
P07202
Uniprot Name
Thyroid peroxidase
Molecular Weight
102961.63 Da
References
  1. Magnusson RP, Taurog A, Dorris ML: Mechanisms of thyroid peroxidase- and lactoperoxidase-catalyzed reactions involving iodide. J Biol Chem. 1984 Nov 25;259(22):13783-90. [PubMed:6094529]
  2. Fragu P: [Peroxidase and human thyroid hormone synthesis disorders (author's transl)]. Sem Hop. 1981 Jun 8-15;57(21-24):1130-8. [PubMed:6267713]

Carriers

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Binder
General Function
Toxic substance binding
Specific Function
Serum albumin, the main protein of plasma, has a good binding capacity for water, Ca(2+), Na(+), K(+), fatty acids, hormones, bilirubin and drugs. Its main function is the regulation of the colloid...
Gene Name
ALB
Uniprot ID
P02768
Uniprot Name
Serum albumin
Molecular Weight
69365.94 Da
References
  1. Acland JD: The interpretation of the serum protein-bound iodine: A review. J Clin Pathol. 1971 Apr;24(3):187-218. doi: 10.1136/jcp.24.3.187. [PubMed:16811063]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Binder
General Function
Acts as a substrate for the production of iodinated thyroid hormones thyroxine (T4) and triiodothyronine (T3) (PubMed:17532758). The synthesis of T3 and T4 involves iodination of selected tyrosine residues of TG/thyroglobulin followed by their oxidative coupling in the thyroid follicle lumen (By similarity). Following TG re-internalization and lysosomal-mediated proteolysis, T3 and T4 are released from the polypeptide backbone leading to their secretion into the bloodstream (By similarity).
Specific Function
Hormone activity
Gene Name
TG
Uniprot ID
P01266
Uniprot Name
Thyroglobulin
Molecular Weight
304787.525 Da
References
  1. Acland JD: The interpretation of the serum protein-bound iodine: A review. J Clin Pathol. 1971 Apr;24(3):187-218. doi: 10.1136/jcp.24.3.187. [PubMed:16811063]
  2. Ma ZF, Skeaff SA: Thyroglobulin as a biomarker of iodine deficiency: a review. Thyroid. 2014 Aug;24(8):1195-209. doi: 10.1089/thy.2014.0052. Epub 2014 Jun 12. [PubMed:24762031]

Transporters

Kind
Protein
Organism
Humans
Pharmacological action
Yes
General Function
Mediates iodide uptake in the thyroid gland.
Specific Function
Iodide transmembrane transporter activity
Gene Name
SLC5A5
Uniprot ID
Q92911
Uniprot Name
Sodium/iodide cotransporter
Molecular Weight
68665.63 Da
References
  1. Pesce L, Kopp P: Iodide transport: implications for health and disease. Int J Pediatr Endocrinol. 2014;2014(1):8. doi: 10.1186/1687-9856-2014-8. Epub 2014 May 30. [PubMed:25009573]
  2. Hingorani M, Spitzweg C, Vassaux G, Newbold K, Melcher A, Pandha H, Vile R, Harrington K: The biology of the sodium iodide symporter and its potential for targeted gene delivery. Curr Cancer Drug Targets. 2010 Mar;10(2):242-67. doi: 10.2174/156800910791054194. [PubMed:20201784]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Substrate
General Function
Sodium-independent transporter of chloride and iodide.
Specific Function
Anion
Gene Name
SLC26A4
Uniprot ID
O43511
Uniprot Name
Pendrin
Molecular Weight
85722.155 Da
References
  1. Bizhanova A, Kopp P: Minireview: The sodium-iodide symporter NIS and pendrin in iodide homeostasis of the thyroid. Endocrinology. 2009 Mar;150(3):1084-90. doi: 10.1210/en.2008-1437. Epub 2009 Feb 5. [PubMed:19196800]
  2. NIH Statpearls: Physiology, thyroid hormone [Link]

Drug created on November 18, 2007 11:24 / Updated on October 19, 2020 07:47

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