This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Sodium dichloroacetate
- DrugBank Accession Number
- DB16929
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Sodium dichloroacetate (DB16929)
- Weight
- Average: 150.92
Monoisotopic: 149.925129 - Chemical Formula
- C2HCl2NaO2
- Synonyms
- Ceresine
- Cmi x-11s
- Dca sodium
- Dichloroacetate sodium
- External IDs
- CPC-211
- NSC-744479
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
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
- 42932X67B5
- CAS number
- 2156-56-1
- InChI Key
- LUPNKHXLFSSUGS-UHFFFAOYSA-M
- InChI
- InChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1
- IUPAC Name
- sodium 2,2-dichloroacetate
- SMILES
- [Na+].[O-]C(=O)C(Cl)Cl
References
- General References
- Not Available
- External Links
- ChemSpider
- 15679
- BindingDB
- 50177027
- 1366930
- ChEMBL
- CHEMBL306823
- Wikipedia
- Dichloroacetic_acid
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Unknown Status Basic Science Resistance, Insulin 1 3 Active Not Recruiting Treatment Pyruvate Dehydrogenase Complex Deficiency 1 3 Completed Treatment Lactic Acidosis 1 2 Completed Treatment Cardiovascular Disease (CVD) 1 2 Completed Treatment Lactic Acidosis 1 2 Recruiting Treatment Glioblastoma Multiforme (GBM) 1 1 Completed Treatment Pulmonary Hypertension (Idiopathic, Familial or Anorexigen-associated) 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 31.1 mg/mL ALOGPS logP 1 ALOGPS logP 1.06 Chemaxon logS -0.69 ALOGPS pKa (Strongest Acidic) 2.3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 40.13 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 33.46 m3·mol-1 Chemaxon Polarizability 8.92 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 September 13, 2022 16:45 / Updated at December 01, 2022 11:32