This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Trehalose
- DrugBank Accession Number
- DB12310
- Background
Cabaletta has been used in trials studying the treatment of Oculopharyngeal Muscular Dystrophy.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Trehalose (DB12310)
- Weight
- Average: 342.2965
Monoisotopic: 342.116211546 - Chemical Formula
- C12H22O11
- Synonyms
- Cabaletta
Pharmacology
- Indication
Not Available
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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
- 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 o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- O-glycosyl compounds
- Alternative Parents
- Disaccharides / Oxanes / Secondary alcohols / Polyols / Oxacyclic compounds / Acetals / Primary alcohols / Hydrocarbon derivatives
- Substituents
- Acetal / Alcohol / Aliphatic heteromonocyclic compound / Disaccharide / Hydrocarbon derivative / O-glycosyl compound / Organoheterocyclic compound / Oxacycle / Oxane / Polyol
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- trehalose (CHEBI:16551) / Disaccharides (C01083)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- B8WCK70T7I
- CAS number
- 99-20-7
- InChI Key
- HDTRYLNUVZCQOY-LIZSDCNHSA-N
- InChI
- InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
- IUPAC Name
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol
- SMILES
- OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0000975
- KEGG Compound
- C01083
- PubChem Compound
- 7427
- PubChem Substance
- 347828575
- ChemSpider
- 7149
- BindingDB
- 50235450
- 1311373
- ChEBI
- 16551
- ChEMBL
- CHEMBL1236395
- ZINC
- ZINC000004095531
- Wikipedia
- Trehalose
- PDB Entries
- 1eu8 / 1f0p / 1j1m / 1ni6 / 1tex / 1v6a / 2b1q / 2bhy / 2bxy / 2bxz … show 58 more
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Treatment Corneal De-epithelialization / Photorefractive Keratectomy 1 4 Not Yet Recruiting Prevention Cataracts / Dry Eye Syndrome (DES) / Dry Eyes 1 4 Not Yet Recruiting Treatment Parkinson's Disease (PD) 1 3 Completed Treatment Bipolar Disorder (BD) / Depression, Bipolar 1 2 Completed Treatment Muscular Dystrophy, Oculopharyngeal (OPMD) 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 592.0 mg/mL ALOGPS logP -3 ALOGPS logP -4.7 Chemaxon logS 0.24 ALOGPS pKa (Strongest Acidic) 11.91 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 8 Chemaxon Polar Surface Area 189.53 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 68.34 m3·mol-1 Chemaxon Polarizability 31.14 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 178.3222044 predictedDarkChem Lite v0.1.0 [M-H]- 180.6567044 predictedDarkChem Lite v0.1.0 [M-H]- 180.8982044 predictedDarkChem Lite v0.1.0 [M-H]- 169.24011 predictedDeepCCS 1.0 (2019) [M+H]+ 181.2327044 predictedDarkChem Lite v0.1.0 [M+H]+ 182.8433044 predictedDarkChem Lite v0.1.0 [M+H]+ 184.0762044 predictedDarkChem Lite v0.1.0 [M+H]+ 171.34924 predictedDeepCCS 1.0 (2019) [M+Na]+ 179.4949044 predictedDarkChem Lite v0.1.0 [M+Na]+ 180.1246417 predictedDarkChem Standard v0.1.0 [M+Na]+ 180.3352044 predictedDarkChem Lite v0.1.0 [M+Na]+ 177.1231 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:54 / Updated at June 12, 2020 16:53