This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Liothyronine I-131
- DrugBank Accession Number
- DB12425
- Background
Liothyronine I-131 has been used in trials studying the treatment of Tricuspid Atresia and Heart Defects, Congenital.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Liothyronine I-131 (DB12425)
- Weight
- Average: 662.982
Monoisotopic: 662.795005374 - Chemical Formula
- C15H12I3NO4
- Synonyms
- Liothyronine I 131
Pharmacology
- Indication
Not Available
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Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- 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.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 softwareAllantoin The therapeutic efficacy of Liothyronine I-131 can be increased when used in combination with Allantoin. Asparaginase Erwinia chrysanthemi The therapeutic efficacy of Liothyronine I-131 can be increased when used in combination with Asparaginase Erwinia chrysanthemi. Asparaginase Escherichia coli The therapeutic efficacy of Liothyronine I-131 can be increased when used in combination with Asparaginase Escherichia coli. Beclomethasone dipropionate The therapeutic efficacy of Liothyronine I-131 can be increased when used in combination with Beclomethasone dipropionate. Carbamazepine The therapeutic efficacy of Liothyronine I-131 can be increased when used in combination with Carbamazepine. Ciclesonide The therapeutic efficacy of Liothyronine I-131 can be increased when used in combination with Ciclesonide. Clofibrate The therapeutic efficacy of Liothyronine I-131 can be decreased when used in combination with Clofibrate. Conjugated estrogens The therapeutic efficacy of Liothyronine I-131 can be decreased when used in combination with Conjugated estrogens. Danazol The therapeutic efficacy of Liothyronine I-131 can be increased when used in combination with Danazol. Dantrolene The therapeutic efficacy of Liothyronine I-131 can be increased when used in combination with Dantrolene. 
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- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Phenylalanine and derivatives
- Alternative Parents
- Diphenylethers / Phenylpropanoic acids / Diarylethers / Amphetamines and derivatives / L-alpha-amino acids / Phenoxy compounds / Phenol ethers / O-iodophenols / 1-hydroxy-2-unsubstituted benzenoids / Aralkylamines show 11 more
- Substituents
- 1-hydroxy-2-unsubstituted benzenoid / 2-halophenol / 2-iodophenol / 3-phenylpropanoic-acid / Alpha-amino acid / Amine / Amino acid / Amphetamine or derivatives / Aralkylamine / Aromatic homomonocyclic compound show 28 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 86AZ0G22V2
- CAS number
- 20196-64-9
- InChI Key
- AUYYCJSJGJYCDS-UMVFHIKJSA-N
- InChI
- InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1/i16+4,17+4,18+4
- IUPAC Name
- (2S)-2-amino-3-{4-[4-hydroxy-3-(¹³¹I)iodophenoxy]-3,5-di(¹³¹I)iodophenyl}propanoic acid
- SMILES
- N[C@@H](CC1=CC([131I])=C(OC2=CC([131I])=C(O)C=C2)C([131I])=C1)C(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 23724940
- PubChem Substance
- 347828668
- ChemSpider
- 28528366
- ChEMBL
- CHEMBL2106622
- ZINC
- ZINC000150340615
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Heart Defects,Congenital / Tricuspid Atresia 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0195 mg/mL ALOGPS logP 0.82 ALOGPS logP 2.8 ChemAxon logS -4.5 ALOGPS pKa (Strongest Acidic) 0.3 ChemAxon pKa (Strongest Basic) 9.48 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 4 ChemAxon Hydrogen Donor Count 3 ChemAxon Polar Surface Area 92.78 Å2 ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 113.43 m3·mol-1 ChemAxon Polarizability 44.04 Å3 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Carriers
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- No
- Actions
- Substrate
- General Function
- Serine-type endopeptidase inhibitor activity
- Specific Function
- Major thyroid hormone transport protein in serum.
- Gene Name
- SERPINA7
- Uniprot ID
- P05543
- Uniprot Name
- Thyroxine-binding globulin
- Molecular Weight
- 46324.12 Da
Drug created at October 20, 2016 22:20 / Updated at June 12, 2020 16:53