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
Ebselen
Accession Number
DB12610  (DB05994)
Type
Small Molecule
Groups
Investigational
Description

Ebselen has been investigated for the treatment and basic science of Meniere's Disease, Type 2 Diabetes Mellitus, and Type 1 Diabetes Mellitus.

Structure
Thumb
Synonyms
  • Ebselen
  • ebseleno
External IDs
DR-3305 / DR3305 / SPI-1005
Categories
UNII
40X2P7DPGH
CAS number
60940-34-3
Weight
Average: 274.192
Monoisotopic: 274.984936
Chemical Formula
C13H9NOSe
InChI Key
DYEFUKCXAQOFHX-UHFFFAOYSA-N
InChI
InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
IUPAC Name
2-phenyl-2,3-dihydro-1,2-benzoselenazol-3-one
SMILES
O=C1N([Se]C2=CC=CC=C12)C1=CC=CC=C1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UBifunctional epoxide hydrolase 2
inhibitor
Humans
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
(R)-warfarinThe risk or severity of bleeding and hemorrhage can be increased when Ebselen is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding and hemorrhage can be increased when Ebselen is combined with (S)-Warfarin.
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic AcidThe risk or severity of hypertension can be increased when 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid is combined with Ebselen.
1-benzylimidazoleThe risk or severity of hypertension can be increased when 1-benzylimidazole is combined with Ebselen.
2,5-Dimethoxy-4-ethylamphetamineThe risk or severity of hypertension can be increased when 2,5-Dimethoxy-4-ethylamphetamine is combined with Ebselen.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of hypertension can be increased when Ebselen is combined with 2,5-Dimethoxy-4-ethylthioamphetamine.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of hypertension can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Ebselen.
4-hydroxycoumarinThe risk or severity of bleeding and hemorrhage can be increased when Ebselen is combined with 4-hydroxycoumarin.
4-MethoxyamphetamineThe risk or severity of hypertension can be increased when 4-Methoxyamphetamine is combined with Ebselen.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of hypertension can be increased when Ebselen is combined with 5-methoxy-N,N-dimethyltryptamine.
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
3194
PubChem Substance
347828824
ChemSpider
3082
BindingDB
34233
ChEBI
77543
ChEMBL
CHEMBL51085
Wikipedia
Ebselen

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHearing loss or impairment / Malignancies1
1, 2CompletedTreatmentMenière's Disease1
2CompletedPreventionTemporary Auditory Threshold Shift1
2CompletedTreatmentBipolar Disorder (BD) / Bipolar Disorder, Manic1
2CompletedTreatmentMenière's Disease1
2Enrolling by InvitationTreatmentOtotoxicity1
2Not Yet RecruitingTreatmentHead and Neck Carcinoma / Hearing loss or impairment / Lung Cancers / Neuropathy / Ototoxicity / Tinnitus1
2Not Yet RecruitingTreatmentHearing Loss, Noise-Induced1
2, 3CompletedBasic ScienceType 1 Insulin-Dependent Diabetes Mellitus / Type 2 Diabetes Mellitus1

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 Solubility4.35 mg/mLALOGPS
logP1.91ALOGPS
logP2.65ChemAxon
logS-1.8ALOGPS
pKa (Strongest Basic)-5.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area20.31 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity71.54 m3·mol-1ChemAxon
Polarizability23.06 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Not Available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Selenazoles / Heteroaromatic compounds / Lactams / Azacyclic compounds / Organoselenium compounds / Organopnictogen compounds / Organooxygen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Monocyclic benzene moiety / Heteroaromatic compound / 1,2-selenazole / Lactam / Azacycle / Organoheterocyclic compound / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound / Organic oxide
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
benzoselenazole (CHEBI:77543)

Targets

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
Curator comments
irreversible inhibitor of soluble epoxide hydrolase (sEH)
General Function
Toxic substance binding
Specific Function
Bifunctional enzyme. The C-terminal domain has epoxide hydrolase activity and acts on epoxides (alkene oxides, oxiranes) and arene oxides. Plays a role in xenobiotic metabolism by degrading potenti...
Gene Name
EPHX2
Uniprot ID
P34913
Uniprot Name
Bifunctional epoxide hydrolase 2
Molecular Weight
62615.22 Da
References
  1. Morisseau C, Sahdeo S, Cortopassi G, Hammock BD: Development of an HTS assay for EPHX2 phosphatase activity and screening of nontargeted libraries. Anal Biochem. 2013 Mar 1;434(1):105-11. doi: 10.1016/j.ab.2012.11.017. Epub 2012 Dec 3. [PubMed:23219563]

Drug created on October 20, 2016 17:12 / Updated on September 02, 2019 19:44