Tiratricol
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Identification
- Generic Name
- Tiratricol
- DrugBank Accession Number
- DB03604
- Background
A metabolite of T3 and T4 thyroid hormones; promoted for hyperlipidemia, localized lipodystrophy, and obesity. Tiratricol has been used in trials studying the treatment of Allan-Herndon-Dudley Syndrome.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 621.9323
Monoisotopic: 621.763489036 - Chemical Formula
- C14H9I3O4
- Synonyms
- 3,5,3'-Triiodothyroacetate
- 3',3,5-Triiodothyroacetic acid
- Tiratricol
- Tiratricolum
- Triacana
- Triiodothyroacetic acid
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AThyroid hormone receptor alpha agonistHumans AThyroid hormone receptor beta agonistHumans - 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
- 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
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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcalabrutinib The therapeutic efficacy of Tiratricol can be decreased when used in combination with Acalabrutinib. Acarbose Tiratricol may decrease the hypoglycemic activities of Acarbose. Acebutolol The therapeutic efficacy of Tiratricol can be decreased when used in combination with Acebutolol. Acenocoumarol The risk or severity of bleeding can be increased when Tiratricol is combined with Acenocoumarol. Acetohexamide Tiratricol may decrease the hypoglycemic activities of Acetohexamide. - Food Interactions
- Not Available
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.
- Product Ingredients
Ingredient UNII CAS InChI Key Tiratricol sodium 3HK9045D54 1477-04-9 BBBAIWCYEJXUMH-UHFFFAOYSA-M
Categories
- ATC Codes
- H03AA04 — Tiratricol
- H03AA — Thyroid hormones
- H03A — THYROID PREPARATIONS
- H03 — THYROID THERAPY
- H — SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- Drug Categories
- Agents used to treat hypothyroidism
- Amino Acids
- Amino Acids, Aromatic
- Amino Acids, Cyclic
- Amino Acids, Peptides, and Proteins
- Dermatologicals
- Hormones
- Hormones, Hormone Substitutes, and Hormone Antagonists
- NTCP Inhibitors
- Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins
- Thyroid Products
- Thyronines
- 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 / O-iodophenols / Iodobenzenes / 1-hydroxy-2-unsubstituted benzenoids / Aryl iodides / Monocarboxylic acids and derivatives / Carboxylic acids / Organoiodides show 3 more
- Substituents
- 1-hydroxy-2-unsubstituted benzenoid / 2-halophenol / 2-iodophenol / Aromatic homomonocyclic compound / Aryl halide / Aryl iodide / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Diaryl ether show 14 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 29OQ9EU4R1
- CAS number
- 51-24-1
- InChI Key
- UOWZUVNAGUAEQC-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
- IUPAC Name
- 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
- SMILES
- OC(=O)CC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C(I)=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 5803
- PubChem Substance
- 46504696
- ChemSpider
- 5598
- BindingDB
- 18862
- 13982
- ChEMBL
- CHEMBL41632
- ZINC
- ZINC000004217580
- Guide to Pharmacology
- GtP Drug Page
- PDBe Ligand
- 4HY
- Wikipedia
- Tiratricol
- PDB Entries
- 1nq0 / 1nq1 / 1nq2 / 1nuo / 2pin / 2pit / 2piu / 2pkl / 2qpy / 3d57 … show 3 more
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 Available Not Available Allan-Herndon-Dudley Syndrome / Monocarboxylate Transporter 8 Deficiency 1 somestatus stop reason just information to hide 3 Recruiting Treatment Allan-Herndon-Dudley Syndrome / Monocarboxylate Transporter 8 Deficiency 1 somestatus stop reason just information to hide 2 Active Not Recruiting Treatment Allan-Herndon-Dudley Syndrome 1 somestatus stop reason just information to hide 2 Completed Treatment Allan-Herndon-Dudley Syndrome 1 somestatus stop reason just information to hide
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00539 mg/mL ALOGPS logP 5.27 ALOGPS logP 5.59 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 2.31 Chemaxon pKa (Strongest Basic) -3.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 66.76 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 105.67 m3·mol-1 Chemaxon Polarizability 40.54 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.6831 Blood Brain Barrier + 0.7944 Caco-2 permeable + 0.628 P-glycoprotein substrate Non-substrate 0.5904 P-glycoprotein inhibitor I Non-inhibitor 0.8432 P-glycoprotein inhibitor II Non-inhibitor 0.9274 Renal organic cation transporter Non-inhibitor 0.8986 CYP450 2C9 substrate Non-substrate 0.7944 CYP450 2D6 substrate Non-substrate 0.9201 CYP450 3A4 substrate Non-substrate 0.6595 CYP450 1A2 substrate Inhibitor 0.7505 CYP450 2C9 inhibitor Inhibitor 0.8948 CYP450 2D6 inhibitor Non-inhibitor 0.9333 CYP450 2C19 inhibitor Non-inhibitor 0.9026 CYP450 3A4 inhibitor Non-inhibitor 0.8679 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.6166 Ames test Non AMES toxic 0.9047 Carcinogenicity Non-carcinogens 0.8759 Biodegradation Not ready biodegradable 0.975 Rat acute toxicity 3.8459 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.939 hERG inhibition (predictor II) Non-inhibitor 0.8942
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 178.7620544 predictedDarkChem Lite v0.1.0 [M-H]- 195.8199 predictedDeepCCS 1.0 (2019) [M+H]+ 179.8836544 predictedDarkChem Lite v0.1.0 [M+H]+ 198.1779 predictedDeepCCS 1.0 (2019) [M+Na]+ 179.0808544 predictedDarkChem Lite v0.1.0 [M+Na]+ 204.84209 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsThyroid hormone receptor alpha
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Agonist
- General Function
- Nuclear hormone receptor that can act as a repressor or activator of transcription. High affinity receptor for thyroid hormones, including triiodothyronine and thyroxine
- Specific Function
- chromatin DNA binding
- Gene Name
- THRA
- Uniprot ID
- P10827
- Uniprot Name
- Thyroid hormone receptor alpha
- Molecular Weight
- 54815.055 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
2. DetailsThyroid hormone receptor beta
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Agonist
- General Function
- Nuclear hormone receptor that can act as a repressor or activator of transcription. High affinity receptor for thyroid hormones, including triiodothyronine and thyroxine
- Specific Function
- chromatin DNA binding
- Gene Name
- THRB
- Uniprot ID
- P10828
- Uniprot Name
- Thyroid hormone receptor beta
- Molecular Weight
- 52787.16 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Transporters
1. DetailsHepatic sodium/bile acid cotransporter
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Inhibitor
- General Function
- As a major transporter of conjugated bile salts from plasma into the hepatocyte, it plays a key role in the enterohepatic circulation of bile salts necessary for the solubilization and absorption of dietary fat and fat-soluble vitamins (PubMed:14660639, PubMed:24867799, PubMed:34060352, PubMed:8132774). It is strictly dependent on the extracellular presence of sodium (PubMed:14660639, PubMed:24867799, PubMed:34060352, PubMed:8132774). It exhibits broad substrate specificity and transports various bile acids, such as taurocholate, cholate, as well as non-bile acid organic compounds, such as estrone sulfate (PubMed:14660639, PubMed:34060352). Works collaboratively with the ileal transporter (NTCP2), the organic solute transporter (OST), and the bile salt export pump (BSEP), to ensure efficacious biological recycling of bile acids during enterohepatic circulation (PubMed:33222321)
- Specific Function
- bile acid
- Gene Name
- SLC10A1
- Uniprot ID
- Q14973
- Uniprot Name
- Hepatic sodium/bile acid cotransporter
- Molecular Weight
- 38118.64 Da
References
- Donkers JM, Zehnder B, van Westen GJP, Kwakkenbos MJ, IJzerman AP, Oude Elferink RPJ, Beuers U, Urban S, van de Graaf SFJ: Reduced hepatitis B and D viral entry using clinically applied drugs as novel inhibitors of the bile acid transporter NTCP. Sci Rep. 2017 Nov 10;7(1):15307. doi: 10.1038/s41598-017-15338-0. [Article]
Drug created at June 13, 2005 13:24 / Updated at August 26, 2024 19:22