3,5-diiodothyropropionic acid

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

Identification

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Name
3,5-diiodothyropropionic acid
Accession Number
DB12629
Type
Small Molecule
Groups
Investigational
Description

DITPA has been investigated in Congestive Heart Failure.

Structure
Thumb
Synonyms
  • DITPA
Categories
UNII
1HTO2X0SJ9
CAS number
1158-10-7
Weight
Average: 510.066
Monoisotopic: 509.8825
Chemical Formula
C15H12I2O4
InChI Key
WONYMNWUJVKVII-UHFFFAOYSA-N
InChI
InChI=1S/C15H12I2O4/c16-12-7-9(1-6-14(19)20)8-13(17)15(12)21-11-4-2-10(18)3-5-11/h2-5,7-8,18H,1,6H2,(H,19,20)
IUPAC Name
3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
SMILES
OC(=O)CCC1=CC(I)=C(OC2=CC=C(O)C=C2)C(I)=C1

Pharmacology

Indication
Not Available
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
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.
DrugInteraction
2,5-Dimethoxy-4-ethylamphetamineThe risk or severity of adverse effects can be increased when 2,5-Dimethoxy-4-ethylamphetamine is combined with 3,5-diiodothyropropionic acid.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of adverse effects can be increased when 2,5-Dimethoxy-4-ethylthioamphetamine is combined with 3,5-diiodothyropropionic acid.
3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinoneThe therapeutic efficacy of 3,5-diiodothyropropionic acid can be decreased when used in combination with SU4984.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with 3,5-diiodothyropropionic acid.
AcalabrutinibThe therapeutic efficacy of 3,5-diiodothyropropionic acid can be decreased when used in combination with Acalabrutinib.
AcebutololThe risk or severity of adverse effects can be increased when Acebutolol is combined with 3,5-diiodothyropropionic acid.
AcetohexamideThe therapeutic efficacy of Acetohexamide can be decreased when used in combination with 3,5-diiodothyropropionic acid.
AfatinibThe therapeutic efficacy of 3,5-diiodothyropropionic acid can be decreased when used in combination with Afatinib.
AlaproclateThe therapeutic efficacy of 3,5-diiodothyropropionic acid can be decreased when used in combination with Alaproclate.
AldesleukinThe therapeutic efficacy of 3,5-diiodothyropropionic acid can be decreased when used in combination with Aldesleukin.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
160565
PubChem Substance
347828840
ChemSpider
141095
BindingDB
50431457
ChEBI
134267
ChEMBL
CHEMBL2348292

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2TerminatedTreatmentHigh Cholesterol1
2TerminatedNot AvailableCongestive Heart Failure1
2TerminatedTreatmentCongestive Heart Failure1
Not AvailableAvailableNot AvailableMct8 (Slc16A2)-Specific Thyroid Hormone Cell Transporter Deficiency1

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 Solubility0.00692 mg/mLALOGPS
logP5.09ALOGPS
logP5.11ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)2.5ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.76 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity96.91 m3·mol-1ChemAxon
Polarizability37.6 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Phenylpropanoic acids / Diarylethers / Phenoxy compounds / Phenol ethers / Iodobenzenes / 1-hydroxy-2-unsubstituted benzenoids / Aryl iodides / Monocarboxylic acids and derivatives / Carboxylic acids / Organoiodides
show 3 more
Substituents
Diphenylether / Diaryl ether / 3-phenylpropanoic-acid / Phenoxy compound / Phenol ether / 1-hydroxy-2-unsubstituted benzenoid / Phenol / Halobenzene / Iodobenzene / Aryl halide
show 13 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Enzymes

Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Substrate
General Function
Vitamin d3 25-hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
Gene Name
CYP3A4
Uniprot ID
P08684
Uniprot Name
Cytochrome P450 3A4
Molecular Weight
57342.67 Da
References
  1. Jonklaas J, Bianco AC, Bauer AJ, Burman KD, Cappola AR, Celi FS, Cooper DS, Kim BW, Peeters RP, Rosenthal MS, Sawka AM: Guidelines for the treatment of hypothyroidism: prepared by the american thyroid association task force on thyroid hormone replacement. Thyroid. 2014 Dec;24(12):1670-751. doi: 10.1089/thy.2014.0028. [PubMed:25266247]

Drug created on October 20, 2016 17:19 / Updated on November 02, 2019 03:01