Identification Name Tiratricol Accession Number DB03604 (EXPT00217, DB12922) Type Small Molecule Groups Investigational Description 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.
Structure Synonyms 3',3,5-Triiodothyroacetic acid Tiratricolum
Triacana
Triiodothyroacetic acid
External IDs Not Available Product Ingredients Approved Prescription Products Not Available Approved Generic Prescription Products Not Available Approved Over the Counter Products Not Available Unapproved/Other Products Not Available International Brands Not Available Brand mixtures Not Available Categories UNII 29OQ9EU4R1 CAS number 51-24-1 Weight Average: 621.9323 Chemical Formula C14 H9 I3 O4 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
Pharmacology Indication Not Available Structured Indications Not Available Pharmacodynamics Not Available Mechanism of action Target Kind Pharmacological action Actions Organism UniProt ID Thyroid hormone receptor beta Protein unknown Not Available Human P10828 details
Related Articles
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 Toxicity Not Available Affected organisms Not Available Pathways Not Available Pharmacogenomic Effects/ADRs Not Available Interactions Drug Interactions Not Available Food Interactions Not Available References Synthesis Reference Not Available General References Not Available External Links ATC Codes Not Available AHFS Codes Not Available PDB Entries FDA label Not Available MSDS Not Available Clinical Trials Clinical Trials 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 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
ADMET data is predicted using
admetSAR , a free tool for evaluating chemical ADMET properties. (
23092397 )
Spectra Mass Spec (NIST) Not Available Spectra Taxonomy Description This compound belongs to the class of chemical entities known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. Kingdom Chemical entities Super Class Organic compounds Class Benzenoids Sub Class Benzene and substituted derivatives 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 / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds show 3 moreSubstituents Diphenylether / Diaryl ether / Phenoxy compound / 2-halophenol / 2-iodophenol / Phenol ether / Phenol / 1-hydroxy-2-unsubstituted benzenoid / Halobenzene / Iodobenzene / Aryl halide / Aryl iodide / Carboxylic acid derivative / Carboxylic acid / Ether / Monocarboxylic acid or derivatives / Carbonyl group / Organic oxide / Organic oxygen compound / Organooxygen compound / Organoiodide / Organohalogen compound / Hydrocarbon derivative / Aromatic homomonocyclic compound show 14 moreMolecular Framework Aromatic homomonocyclic compounds External Descriptors Not Available 