Ezutromid
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
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
- 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
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AUtrophin upregulatorHumans - 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- Human Metabolome Database
- HMDB0252151
- PubChem Compound
- 25109292
- PubChem Substance
- 347829043
- ChemSpider
- 26344547
- BindingDB
- 50519636
- ChEMBL
- CHEMBL1773683
- ZINC
- ZINC000071297091
- Wikipedia
- Ezutromid
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 data2 Terminated Treatment Duchenne Muscular Dystrophy (DMD) 1 somestatus stop reason just information to hide 1 Completed Treatment Duchenne Muscular Dystrophy (DMD) 2 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 0.0138 mg/mL ALOGPS logP 4.07 ALOGPS logP 3.68 Chemaxon logS -4.4 ALOGPS pKa (Strongest Basic) -1.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 60.17 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 102.94 m3·mol-1 Chemaxon Polarizability 36.97 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No 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 splash10-000i-0009000000-ec4a767dd80a91932613 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-052r-0009000000-aac68c6bb0283fa7487e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0009000000-47fa583c2aaeeb598945 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-052r-0009000000-5cd0f34637add0b26e60 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-006t-0492000000-6056153c6ef4b052f2ec Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-02vi-4962000000-0cf917ba81209078d9a2 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 196.5101506 predictedDarkChem Lite v0.1.0 [M-H]- 173.12538 predictedDeepCCS 1.0 (2019) [M+H]+ 196.9214506 predictedDarkChem Lite v0.1.0 [M+H]+ 175.48338 predictedDeepCCS 1.0 (2019) [M+Na]+ 196.8423506 predictedDarkChem Lite v0.1.0 [M+Na]+ 182.46638 predictedDeepCCS 1.0 (2019)
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
1. DetailsUtrophin
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Upregulator
- General Function
- May play a role in anchoring the cytoskeleton to the plasma membrane
- Specific Function
- actin binding
- Gene Name
- UTRN
- Uniprot ID
- P46939
- Uniprot Name
- Utrophin
- Molecular Weight
- 394463.09 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]
Drug created at October 21, 2016 01:01 / Updated at August 27, 2024 19:16