Ezutromid

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
Ezutromid
Accession Number
DB12888
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
BMN 195 / BMN-195 / Smt C1100 / SMT-C1100 / SMTC-1100
Categories
Not Available
UNII
645R07LF0D
CAS number
945531-77-1
Weight
Average: 337.39
Monoisotopic: 337.077264521
Chemical Formula
C19H15NO3S
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
25109292
PubChem Substance
347829043
ChemSpider
26344547
ChEMBL
CHEMBL1773683
Wikipedia
Ezutromid

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentDuchenne's Muscular Dystrophy (DMD)1
1CompletedTreatmentMuscular Dystrophy, Duchenne1
2CompletedTreatmentDuchenne's Muscular Dystrophy (DMD)1

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/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 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
Naphthalene / Benzoxazole / Azole / Oxazole / Sulfone / Sulfonyl / Heteroaromatic compound / Azacycle / Organoheterocyclic compound / Oxacycle
show 9 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:01 / Updated on June 04, 2019 07:44