Auriclosene
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Auriclosene
- DrugBank Accession Number
- DB12197
- Background
Auriclosene has been used in trials studying the treatment of Impetigo, Bacterial Conjunctivitis, Asymptomatic Bacteriuria, and Adenoviral Conjunctivitis.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 222.08
Monoisotopic: 220.9680197 - Chemical Formula
- C4H9Cl2NO3S
- Synonyms
- Auriclosene
- External IDs
- NVC-422
Pharmacology
- Indication
Not Available
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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
- 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 organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Organic sulfonic acids and derivatives
- Sub Class
- Organosulfonic acids and derivatives
- Direct Parent
- Organosulfonic acids
- Alternative Parents
- Sulfonyls / Alkanesulfonic acids / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- Aliphatic acyclic compound / Alkanesulfonic acid / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide / Organic oxygen compound / Organonitrogen compound / Organosulfonic acid / Organosulfur compound / Sulfonyl
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- BKR7Y95229
- CAS number
- 846056-87-9
- InChI Key
- QYNRGGHZWCUZLK-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H9Cl2NO3S/c1-4(2,7(5)6)3-11(8,9)10/h3H2,1-2H3,(H,8,9,10)
- IUPAC Name
- 2-(dichloroamino)-2-methylpropane-1-sulfonic acid
- SMILES
- CC(C)(CS(O)(=O)=O)N(Cl)Cl
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11708365
- PubChem Substance
- 347828482
- ChemSpider
- 9883087
- ChEMBL
- CHEMBL1207907
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Prevention Urinary Catheter Blockage and Encrustation 1 2 Completed Treatment Adenoviral Conjunctivitis 1 2 Completed Treatment Bacterial Conjunctivitis 1 2 Completed Treatment Bacteriuria Asymptomatic 1 2 Completed Treatment Impetigo 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
Property Value Source Water Solubility 2.14 mg/mL ALOGPS logP -1.1 ALOGPS logP 0.0023 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) -1.8 Chemaxon pKa (Strongest Basic) -8.4 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 57.61 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 44.71 m3·mol-1 Chemaxon Polarizability 18.44 Å3 Chemaxon Number of Rings 0 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-004l-6900000000-04f75fec1933357412df Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0090000000-1f6a06f80c75bbd1cb2e Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0090000000-d2e71c594102f11937e1 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0096-7950000000-dfc7e89d1a84d0eabdfd Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0190000000-f027ebe6b7761e247f85 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-004r-3900000000-1abae6fd83157106ee16 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-5b926ed3831dc027485d 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]- 138.17363 predictedDeepCCS 1.0 (2019) [M+H]+ 140.56885 predictedDeepCCS 1.0 (2019) [M+Na]+ 148.44713 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:35 / Updated at February 21, 2021 18:53