This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- N-chlorotaurine
- DrugBank Accession Number
- DB06633
- Background
N-chlorotaurine is an inhibitor of inducible nitric oxide synthase and IkappaB kinase.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for N-chlorotaurine (DB06633)
- Weight
- Average: 159.58
Monoisotopic: 158.9756919 - Chemical Formula
- C2H6ClNO3S
- Synonyms
- N-chlorotaurine
- N-monochlorotaurine
- NCT
- Taurine chloramine
- Taurine monochloramine
- Taurochloramine
Pharmacology
- Indication
Investigated for use/treatment in eye disorders/infections.
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
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- 51036-13-6
- InChI Key
- NMMHHSLZJLPMEG-UHFFFAOYSA-N
- InChI
- InChI=1S/C2H6ClNO3S/c3-4-1-2-8(5,6)7/h4H,1-2H2,(H,5,6,7)
- IUPAC Name
- 2-(chloroamino)ethane-1-sulfonic acid
- SMILES
- OS(=O)(=O)CCNCl
References
- General References
- Not Available
- External Links
- ChemSpider
- 97129
- ChEMBL
- CHEMBL539204
- ZINC
- ZINC000005113729
- Wikipedia
- NCT
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 28.3 mg/mL ALOGPS logP -1.6 ALOGPS logP -1.9 Chemaxon logS -0.75 ALOGPS pKa (Strongest Acidic) -2.2 Chemaxon pKa (Strongest Basic) 3.07 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 66.4 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 40.43 m3·mol-1 Chemaxon Polarizability 13.07 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at March 19, 2008 16:42 / Updated at June 12, 2020 16:52