Omaveloxolone

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

Identification

Generic Name
Omaveloxolone
DrugBank Accession Number
DB12513
Background

Omaveloxolone has been used in trials studying the treatment of Relapsed, Refractory Melanoma and Metastatic or Incurable Non-small Cell Lung Cancer.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 554.723
Monoisotopic: 554.331999611
Chemical Formula
C33H44F2N2O3
Synonyms
  • Omaveloxolone
External IDs
  • RTA 408
  • RTA-408

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbonyl compounds
Direct Parent
Cyclohexenones
Alternative Parents
Secondary carboxylic acid amides / Nitriles / Organofluorides / Organic oxides / Hydrocarbon derivatives / Alkyl fluorides
Substituents
Aliphatic homopolycyclic compound / Alkyl fluoride / Alkyl halide / Carbonitrile / Carboxamide group / Carboxylic acid derivative / Cyanide / Cyclohexenone / Hydrocarbon derivative / Nitrile
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
G69Z98951Q
CAS number
1474034-05-3
InChI Key
RJCWBNBKOKFWNY-IDPLTSGASA-N
InChI
InChI=1S/C33H44F2N2O3/c1-27(2)11-13-33(37-26(40)32(8,34)35)14-12-31(7)24(20(33)17-27)21(38)15-23-29(5)16-19(18-36)25(39)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3,(H,37,40)/t20-,22-,24-,29-,30+,31+,33-/m0/s1
IUPAC Name
N-[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-octadecahydropicen-4a-yl]-2,2-difluoropropanamide
SMILES
CC(F)(F)C(=O)N[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2

References

General References
Not Available
PubChem Compound
71811910
PubChem Substance
347828744
ChemSpider
34980948
ZINC
ZINC000144682962
Wikipedia
Omaveloxolone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentFriedreich's Ataxia1
2CompletedPreventionBreast Cancer1
2CompletedPreventionCataract Surgery / Corneal Endothelial Cell Loss / Eye Pain / Ocular Inflammation1
2CompletedTreatmentInflammation and Pain Following Ocular Surgery1
2CompletedTreatmentMitochondrial Myopathies1
1CompletedTreatmentHealthy Adult Subjects1
1CompletedTreatmentHealthy Male Subjects1
1CompletedTreatmentHealthy Volunteers2
1CompletedTreatmentHepatic Impairment1
1CompletedTreatmentMetastatic or Incurable Non-small Cell Lung Cancer / Relapsed, Refractory Melanoma1

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 Solubility0.00119 mg/mLALOGPS
logP5.64ALOGPS
logP6.28ChemAxon
logS-5.7ALOGPS
pKa (Strongest Acidic)10.11ChemAxon
pKa (Strongest Basic)-5.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area87.03 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity151.25 m3·mol-1ChemAxon
Polarizability60.76 Å3ChemAxon
Number of Rings5ChemAxon
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 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

Drug created on October 20, 2016 22:40 / Updated on February 21, 2021 18:53