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Liothyronine I-131

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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Data Packages
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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
3D
Similar Structures
Weight
Average: 662.982
Monoisotopic: 662.795005374
Chemical Formula
C15H12I3NO4
Synonyms
  • Liothyronine I 131
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available
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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.
DrugInteraction
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interactions in your software
AllantoinThe therapeutic efficacy of Liothyronine I-131 can be increased when used in combination with Allantoin.
Asparaginase Erwinia chrysanthemiThe therapeutic efficacy of Liothyronine I-131 can be increased when used in combination with Asparaginase Erwinia chrysanthemi.
Asparaginase Escherichia coliThe therapeutic efficacy of Liothyronine I-131 can be increased when used in combination with Asparaginase Escherichia coli.
Beclomethasone dipropionateThe therapeutic efficacy of Liothyronine I-131 can be increased when used in combination with Beclomethasone dipropionate.
CarbamazepineThe therapeutic efficacy of Liothyronine I-131 can be increased when used in combination with Carbamazepine.
Food Interactions
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
PubChem Compound
23724940
PubChem Substance
347828668
ChemSpider
28528366
ChEMBL
CHEMBL2106622
ZINC
ZINC000150340615

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
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1CompletedTreatmentHeart Defects,Congenital / Tricuspid Atresia1somestatusstop reasonjust information to hide

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
PropertyValueSource
Water Solubility0.0195 mg/mLALOGPS
logP0.82ALOGPS
logP2.8Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)0.3Chemaxon
pKa (Strongest Basic)9.48Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area92.78 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity113.43 m3·mol-1Chemaxon
Polarizability44.04 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-05a9-5090378000-014ef55558b58a3d38f2
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pb9-0000009000-e3d2b054cea9b4f16645
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0000009000-059d604bfa90a50fd0ba
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052r-0000079000-9ef90d32bab6f2129cff
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004j-2900058000-a401eb7fdfb5e2bf3004
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-056r-0005937000-5794c397043c6704260e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0910110000-f04b87b764daa22caf13
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-189.0603
predicted
DeepCCS 1.0 (2019)
[M+H]+191.45587
predicted
DeepCCS 1.0 (2019)
[M+Na]+197.38034
predicted
DeepCCS 1.0 (2019)

Carriers

Details1. Thyroxine-binding globulin
Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Substrate
General Function
Major thyroid hormone transport protein in serum
Specific Function
serine-type endopeptidase inhibitor activity
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