Hyodeoxycholic Acid

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

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Contraindications & Blackbox Warnings
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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
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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.
DrugInteraction
AbciximabThe risk or severity of adverse effects can be increased when Abciximab is combined with Hyodeoxycholic Acid.
AcenocoumarolThe risk or severity of bleeding and bruising can be increased when Acenocoumarol is combined with Hyodeoxycholic Acid.
Acetylsalicylic acidThe risk or severity of adverse effects can be increased when Acetylsalicylic acid is combined with Hyodeoxycholic Acid.
AlteplaseThe risk or severity of bleeding and bruising can be increased when Alteplase is combined with Hyodeoxycholic Acid.
Aluminium phosphateAluminium 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

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Product Ingredients
IngredientUNIICASInChI Key
Sodium hyodeoxycholateHBY71R8HO210421-49-5DUYSCILLIVEITB-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
PubChem Compound
5283820
PubChem Substance
347828138
ChemSpider
4446908
BindingDB
50375596
ChEBI
52023
ChEMBL
CHEMBL272621
ZINC
ZINC000003918159
Wikipedia
Hyodeoxycholic_acid

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Unknown StatusTreatmentHigh Cholesterol1

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
PropertyValueSource
Water Solubility0.015 mg/mLALOGPS
logP2.98ALOGPS
logP3.71Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)4.79Chemaxon
pKa (Strongest Basic)-2.7Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area77.76 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity109.27 m3·mol-1Chemaxon
Polarizability46.42 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
LC-MS/MS Spectrum - LC-ESI-IT , negativeLC-MS/MSsplash10-00di-0009000000-c3fdacd342e61e39bfc6
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-054o-0019000000-41170082763bf78f2865
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0009000000-ecfeefb8479846ba4293
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-3139000000-32c5fd9b9e51205479f3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0009000000-655c4511f54f62e3701b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-006x-1019000000-fbdf60dc81bba6b35b35
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03y0-1950000000-a3b34b0d1f99f8d699a5
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-207.2166715
predicted
DarkChem Lite v0.1.0
[M-H]-191.86545
predicted
DeepCCS 1.0 (2019)
[M+H]+207.2737715
predicted
DarkChem Lite v0.1.0
[M+H]+193.69034
predicted
DeepCCS 1.0 (2019)
[M+Na]+206.9471715
predicted
DarkChem Lite v0.1.0
[M+Na]+199.29616
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:48 / Updated at June 12, 2020 16:53