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.

Drug	Interaction
Integrate drug-drug interactions in your software
Abciximab	The risk or severity of bleeding and hemorrhage can be increased when Ebselen is combined with Abciximab.
Acebutolol	Ebselen may decrease the antihypertensive activities of Acebutolol.
Aceclofenac	The risk or severity of adverse effects can be increased when Aceclofenac is combined with Ebselen.
Acemetacin	The risk or severity of adverse effects can be increased when Ebselen is combined with Acemetacin.
Acenocoumarol	The risk or severity of bleeding and hemorrhage can be increased when Ebselen is combined with Acenocoumarol.

Food Interactions

Not Available

Chemical Identifiers

UNII: 40X2P7DPGH
CAS number: 60940-34-3
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

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 Clinical Trial & Rare Diseases Add-on Data Package Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package

Phase	Status	Purpose	Conditions	Count	Start Date	Why Stopped	100+ additional columns
Unlock 175K+ rows when you subscribe.View sample data
3	Completed	Treatment	Menière's Disease / Ménière	1	somestatus	stop reason	just information to hide
2	Completed	Prevention	Temporary Auditory Threshold Shift	1	somestatus	stop reason	just information to hide
2	Completed	Treatment	Bipolar Disorder (BD) / Bipolar Disorder, Manic	1	somestatus	stop reason	just information to hide
2	Completed	Treatment	Menière's Disease	1	somestatus	stop reason	just information to hide
2	Completed	Treatment	Ototoxicity	1	somestatus	stop reason	just information to hide

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

Property	Value	Source
Water Solubility	4.35 mg/mL	ALOGPS
logP	1.91	ALOGPS
logP	2.65	Chemaxon
logS	-1.8	ALOGPS
pKa (Strongest Basic)	-5.1	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	2	Chemaxon
Hydrogen Donor Count	0	Chemaxon
Polar Surface Area	20.31 Å²	Chemaxon
Rotatable Bond Count	1	Chemaxon
Refractivity	71.54 m³·mol^-1	Chemaxon
Polarizability	23.06 Å³	Chemaxon
Number of Rings	3	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	Yes	Chemaxon
Veber's Rule	Yes	Chemaxon
MDDR-like Rule	No	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0090000000-21fb3165a79a42583e73
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-ccfabf280499868312c1
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0090000000-41e450e5ce3aa3aee561
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-c377e3179cdb1fb4566c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00dj-0090000000-430e40373bc07d3084a9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-002b-0090000000-5a1378b8f8da6c442178

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	145.03658	predicted	DeepCCS 1.0 (2019)
[M+H]+	147.43214	predicted	DeepCCS 1.0 (2019)
[M+Na]+	153.34467	predicted	DeepCCS 1.0 (2019)

Targets

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Details1. Albumin

Kind: Protein
Organism: Humans
Pharmacological action: Yes
Actions: Binder

General Function: Binds water, Ca(2+), Na(+), K(+), fatty acids, hormones, bilirubin and drugs (Probable). Its main function is the regulation of the colloidal osmotic pressure of blood (Probable). Major zinc transporter in plasma, typically binds about 80% of all plasma zinc (PubMed:19021548). Major calcium and magnesium transporter in plasma, binds approximately 45% of circulating calcium and magnesium in plasma (By similarity). Potentially has more than two calcium-binding sites and might additionally bind calcium in a non-specific manner (By similarity). The shared binding site between zinc and calcium at residue Asp-273 suggests a crosstalk between zinc and calcium transport in the blood (By similarity). The rank order of affinity is zinc > calcium > magnesium (By similarity). Binds to the bacterial siderophore enterobactin and inhibits enterobactin-mediated iron uptake of E.coli from ferric transferrin, and may thereby limit the utilization of iron and growth of enteric bacteria such as E.coli (PubMed:6234017). Does not prevent iron uptake by the bacterial siderophore aerobactin (PubMed:6234017)
Specific Function: antioxidant activity
Gene Name: ALB
Uniprot ID: P02768
Uniprot Name: Albumin
Molecular Weight: 69365.94 Da

References

Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]

Details2. Lysine-specific demethylase 4A

Kind: Protein
Organism: Humans
Pharmacological action: Yes
Actions: Inhibitor

General Function: Histone demethylase that specifically demethylates 'Lys-9' and 'Lys-36' residues of histone H3, thereby playing a central role in histone code (PubMed:26741168). Does not demethylate histone H3 'Lys-4', H3 'Lys-27' nor H4 'Lys-20'. Demethylates trimethylated H3 'Lys-9' and H3 'Lys-36' residue, while it has no activity on mono- and dimethylated residues. Demethylation of Lys residue generates formaldehyde and succinate. Participates in transcriptional repression of ASCL2 and E2F-responsive promoters via the recruitment of histone deacetylases and NCOR1, respectively
Specific Function: histone demethylase activity
Gene Name: KDM4A
Uniprot ID: O75164
Uniprot Name: Lysine-specific demethylase 4A
Molecular Weight: 120661.265 Da

References

Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]

Details3. Bifunctional epoxide hydrolase 2

Kind: Protein
Organism: Humans
Pharmacological action: Unknown
Actions: Inhibitor
Curator comments: irreversible inhibitor of soluble epoxide hydrolase (sEH)

General Function: Bifunctional enzyme (PubMed:12574510). The C-terminal domain has epoxide hydrolase activity and acts on epoxides (alkene oxides, oxiranes) and arene oxides (PubMed:12574510, PubMed:12869654, PubMed:22798687). Plays a role in xenobiotic metabolism by degrading potentially toxic epoxides (By similarity). Also determines steady-state levels of physiological mediators (PubMed:12574510, PubMed:12869654, PubMed:21217101, PubMed:22798687)
Specific Function: 10-hydroxy-9-(phosphonooxy)octadecanoate phosphatase activity
Gene Name: EPHX2
Uniprot ID: P34913
Uniprot Name: Bifunctional epoxide hydrolase 2
Molecular Weight: 62615.22 Da

References

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. [Article]

Drug created at October 20, 2016 23:12 / Updated at October 03, 2024 04:26

Ebselen

Identification

Structure for Ebselen (DB12610)

Pharmacology

Interactions

Categories

Chemical Identifiers

References

Clinical Trials

Clinical Trial & Rare Diseases Add-on Data Package

Pharmacoeconomics

Properties

Spectra

Collision Cross Sections (CCS)

Targets

References

References

References