NAV

Ezutromid

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

Identification

Generic Name
Ezutromid
DrugBank Accession Number
DB12888
Background

Ezutromid has been investigated for the treatment of Muscular Dystrophy, Duchenne.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 337.39
Monoisotopic: 337.077264521
Chemical Formula
C19H15NO3S
Synonyms
  • 5-(Ethylsulfonyl)-2-(naphthalen-2-yl)benzo(d)oxazole
  • Benzoxazole, 5-(ethylsulfonyl)-2-(2-naphthalenyl)-
  • Ezutromid
External IDs
  • BMN 195
  • BMN-195
  • Smt C1100
  • SMT-C1100
  • SMTC-1100
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Pharmacology

Indication

Not Available

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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.
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 naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Naphthalenes
Sub Class
Not Available
Direct Parent
Naphthalenes
Alternative Parents
Benzoxazoles / Sulfones / Oxazoles / Heteroaromatic compounds / Oxacyclic compounds / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Organonitrogen compounds / Organic oxides
show 1 more
Substituents
Aromatic heteropolycyclic compound / Azacycle / Azole / Benzoxazole / Heteroaromatic compound / Hydrocarbon derivative / Naphthalene / Organic nitrogen compound / Organic oxide / Organic oxygen compound
show 9 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
645R07LF0D
CAS number
945531-77-1
InChI Key
KSGCNXAZROJSNW-UHFFFAOYSA-N
InChI
InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
IUPAC Name
5-(ethanesulfonyl)-2-(naphthalen-2-yl)-1,3-benzoxazole
SMILES
CCS(=O)(=O)C1=CC=C2OC(=NC2=C1)C1=CC=C2C=CC=CC2=C1

References

General References
Not Available
Human Metabolome Database
HMDB0252151
PubChem Compound
25109292
PubChem Substance
347829043
ChemSpider
26344547
BindingDB
50519636
ChEMBL
CHEMBL1773683
ZINC
ZINC000071297091
Wikipedia
Ezutromid

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentDuchenne Muscular Dystrophy (DMD)1
1CompletedTreatmentDuchenne Muscular Dystrophy (DMD)2

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 Solubility0.0138 mg/mLALOGPS
logP4.07ALOGPS
logP3.68Chemaxon
logS-4.4ALOGPS
pKa (Strongest Basic)-1.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area60.17 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity102.94 m3·mol-1Chemaxon
Polarizability36.97 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/MSsplash10-000i-0009000000-ec4a767dd80a91932613
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-052r-0009000000-aac68c6bb0283fa7487e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0009000000-47fa583c2aaeeb598945
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-052r-0009000000-5cd0f34637add0b26e60
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-006t-0492000000-6056153c6ef4b052f2ec
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-02vi-4962000000-0cf917ba81209078d9a2
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]-196.5101506
predicted
DarkChem Lite v0.1.0
[M-H]-173.12538
predicted
DeepCCS 1.0 (2019)
[M+H]+196.9214506
predicted
DarkChem Lite v0.1.0
[M+H]+175.48338
predicted
DeepCCS 1.0 (2019)
[M+Na]+196.8423506
predicted
DarkChem Lite v0.1.0
[M+Na]+182.46638
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:01 / Updated at December 01, 2022 11:28