Hyodeoxycholic Acid
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Hyodeoxycholic Acid
- DrugBank Accession Number
- DB11789
- Background
Hyodeoxycholic Acid has been used in trials studying the treatment of Hypercholesterolemia.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 392.58
Monoisotopic: 392.292659768 - Chemical Formula
- C24H40O4
- Synonyms
- Not Available
- External IDs
- AHRO-001
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
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbciximab The risk or severity of adverse effects can be increased when Abciximab is combined with Hyodeoxycholic Acid. Acenocoumarol The risk or severity of bleeding and bruising can be increased when Acenocoumarol is combined with Hyodeoxycholic Acid. Acetylsalicylic acid The risk or severity of adverse effects can be increased when Acetylsalicylic acid is combined with Hyodeoxycholic Acid. Alteplase The risk or severity of bleeding and bruising can be increased when Alteplase is combined with Hyodeoxycholic Acid. Aluminium phosphate Aluminium phosphate can cause a decrease in the absorption of Hyodeoxycholic Acid resulting in a reduced serum concentration and potentially a decrease in efficacy. - Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Sodium hyodeoxycholate HBY71R8HO2 10421-49-5 DUYSCILLIVEITB-IHUGHQDSSA-M
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Steroids and steroid derivatives
- Sub Class
- Bile acids, alcohols and derivatives
- Direct Parent
- Dihydroxy bile acids, alcohols and derivatives
- Alternative Parents
- 6-hydroxysteroids / 3-alpha-hydroxysteroids / Secondary alcohols / Cyclic alcohols and derivatives / Monocarboxylic acids and derivatives / Carboxylic acids / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- 3-alpha-hydroxysteroid / 3-hydroxysteroid / 6-hydroxysteroid / Alcohol / Aliphatic homopolycyclic compound / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Cyclic alcohol / Dihydroxy bile acid, alcohol, or derivatives
- Molecular Framework
- Aliphatic homopolycyclic compounds
- External Descriptors
- bile acid, 5beta-cholanic acids, 6alpha,20xi-murideoxycholic acid (CHEBI:52023) / C24 bile acids, alcohols, and derivatives (LMST04010024)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 7A33Y6EHYK
- CAS number
- 83-49-8
- InChI Key
- DGABKXLVXPYZII-SIBKNCMHSA-N
- InChI
- InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
- IUPAC Name
- (4R)-4-[(1R,3aS,3bS,5S,5aR,7R,9aR,9bS,11aR)-5,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
- SMILES
- [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 5283820
- PubChem Substance
- 347828138
- ChemSpider
- 4446908
- BindingDB
- 50375596
- ChEBI
- 52023
- ChEMBL
- CHEMBL272621
- ZINC
- ZINC000003918159
- Wikipedia
- Hyodeoxycholic_acid
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Unknown Status Treatment High Cholesterol 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 0.015 mg/mL ALOGPS logP 2.98 ALOGPS logP 3.71 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 4.79 Chemaxon pKa (Strongest Basic) -2.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 77.76 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 109.27 m3·mol-1 Chemaxon Polarizability 46.42 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 207.2166715 predictedDarkChem Lite v0.1.0 [M-H]- 191.86545 predictedDeepCCS 1.0 (2019) [M+H]+ 207.2737715 predictedDarkChem Lite v0.1.0 [M+H]+ 193.69034 predictedDeepCCS 1.0 (2019) [M+Na]+ 206.9471715 predictedDarkChem Lite v0.1.0 [M+Na]+ 199.29616 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:48 / Updated at June 12, 2020 16:53