Ethaselen

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

Identification

Generic Name
Ethaselen
DrugBank Accession Number
DB15051
Background

Ethaselen is under investigation in clinical trial NCT02166242 (Ethaselen for the Treatment of Thioredoxin Reductase High Expression Advanced Non-small Cell Lung Cancers).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 422.226
Monoisotopic: 423.922922
Chemical Formula
C16H12N2O2Se2
Synonyms
Not Available

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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

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
EltrombopagThe bioavailability of Ethaselen can be decreased when combined with Eltrombopag.
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
4Q2EZS1IWG
CAS number
217798-39-5
InChI Key
SFFSGPCYJCMDJM-UHFFFAOYSA-N
InChI
InChI=1S/C16H12N2O2Se2/c19-15-11-5-1-3-7-13(11)21-17(15)9-10-18-16(20)12-6-2-4-8-14(12)22-18/h1-8H,9-10H2
IUPAC Name
2-[2-(3-oxo-2,3-dihydro-1,2-benzoselenazol-2-yl)ethyl]-2,3-dihydro-1,2-benzoselenazol-3-one
SMILES
O=C1N(CCN2[Se]C3=C(C=CC=C3)C2=O)[Se]C2=C1C=CC=C2

References

General References
Not Available
ChemSpider
8562927
BindingDB
50385303
ChEMBL
CHEMBL2035460

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentNon-Small Cell Lung Carcinoma1

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 Solubility4.38 mg/mLALOGPS
logP1.36ALOGPS
logP1.77Chemaxon
logS-2ALOGPS
pKa (Strongest Basic)-7.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area40.62 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity101.56 m3·mol-1Chemaxon
Polarizability32.16 Å3Chemaxon
Number of Rings4Chemaxon
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0000900000-6cd6af1cf92d0a11b4ba
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-006t-0900600000-098a1f4c0538143c032d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00fr-0380900000-a2fa66efd98c2c65b166
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00dj-0901700000-a48ed0d15b4532baa8fa
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a7i-2923000000-1b0496730f34ffc796b4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0btm-0955100000-6ab52a08d9aa1997379a
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:45 / Updated at June 12, 2020 16:53