NAV

Etilevodopa

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

Identification

Generic Name
Etilevodopa
DrugBank Accession Number
DB06535
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 225.244
Monoisotopic: 225.100107967
Chemical Formula
C11H15NO4
Synonyms
  • Etilevodopa
External IDs
  • TV-1203
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Pharmacology

Indication

Investigated for use/treatment in parkinson's disease.

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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
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AmisulprideThe therapeutic efficacy of Etilevodopa can be decreased when used in combination with Amisulpride.
AripiprazoleThe therapeutic efficacy of Etilevodopa can be decreased when used in combination with Aripiprazole.
Aripiprazole lauroxilThe therapeutic efficacy of Etilevodopa can be decreased when used in combination with Aripiprazole lauroxil.
AsenapineThe therapeutic efficacy of Etilevodopa can be decreased when used in combination with Asenapine.
BrexpiprazoleThe therapeutic efficacy of Etilevodopa can be decreased when used in combination with Brexpiprazole.
Food Interactions
Not Available

Categories

ATC Codes
N04BA06 — Etilevodopa and decarboxylase inhibitor
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine 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
Tyrosine and derivatives
Alternative Parents
Phenylalanine and derivatives / Alpha amino acid esters / Amphetamines and derivatives / Catechols / Fatty acid esters / Aralkylamines / 1-hydroxy-4-unsubstituted benzenoids / 1-hydroxy-2-unsubstituted benzenoids / Carboxylic acid esters / Monocarboxylic acids and derivatives
show 5 more
Substituents
1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / Alpha-amino acid ester / Amine / Amphetamine or derivatives / Aralkylamine / Aromatic homomonocyclic compound / Benzenoid / Carbonyl group / Carboxylic acid ester
show 17 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
895X917GYE
CAS number
37178-37-3
InChI Key
NULMGOSOSZBEQL-QMMMGPOBSA-N
InChI
InChI=1S/C11H15NO4/c1-2-16-11(15)8(12)5-7-3-4-9(13)10(14)6-7/h3-4,6,8,13-14H,2,5,12H2,1H3/t8-/m0/s1
IUPAC Name
ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
SMILES
CCOC(=O)[C@@H](N)CC1=CC=C(O)C(O)=C1

References

General References
Not Available
ChemSpider
148944
RxNav
1421444
ChEBI
135971
ChEMBL
CHEMBL1823681
ZINC
ZINC000056897596
Wikipedia
Etilevodopa

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility1.78 mg/mLALOGPS
logP0.22ALOGPS
logP0.97Chemaxon
logS-2.1ALOGPS
pKa (Strongest Acidic)9.29Chemaxon
pKa (Strongest Basic)6.97Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area92.78 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity58.6 m3·mol-1Chemaxon
Polarizability23.27 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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-MSsplash10-0udi-1900000000-e45fbb77a6e8cdf73b36
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ug0-0920000000-11a7ab322e2f235edf8c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00fr-2980000000-b31bd9af893da0af48a8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0079-3900000000-8a2df319d378b5182595
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05fr-6900000000-8835c00b50ec12aad48f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4l-4900000000-64c3fc7e63f09ad5e7c0
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05fr-9700000000-856d5ef426439566f00b
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-157.00838
predicted
DeepCCS 1.0 (2019)
[M+H]+159.3664
predicted
DeepCCS 1.0 (2019)
[M+Na]+165.45967
predicted
DeepCCS 1.0 (2019)

Drug created at March 19, 2008 16:36 / Updated at February 21, 2021 18:52