Hyodeoxycholic Acid

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Hyodeoxycholic Acid
Accession Number
DB11789
Type
Small Molecule
Groups
Investigational
Description

Hyodeoxycholic Acid has been used in trials studying the treatment of Hypercholesterolemia.

Structure
Thumb
Synonyms
Not Available
External IDs
AHRO-001
Product Ingredients
IngredientUNIICASInChI Key
Sodium hyodeoxycholateHBY71R8HO210421-49-5DUYSCILLIVEITB-IHUGHQDSSA-M
Categories
UNII
7A33Y6EHYK
CAS number
83-49-8
Weight
Average: 392.58
Monoisotopic: 392.292659768
Chemical Formula
C24H40O4
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(R)-warfarinThe risk or severity of bleeding and bruising can be increased when (R)-warfarin is combined with Hyodeoxycholic Acid.
(S)-WarfarinThe risk or severity of bleeding and bruising can be increased when (S)-Warfarin is combined with Hyodeoxycholic Acid.
4-hydroxycoumarinThe risk or severity of bleeding and bruising can be increased when 4-hydroxycoumarin is combined with Hyodeoxycholic Acid.
AbciximabThe risk or severity of bleeding and bruising can be increased when Abciximab is combined with Hyodeoxycholic Acid.
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.
Acetylcysteine zincAcetylcysteine zinc can cause a decrease in the absorption of Hyodeoxycholic Acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Acetylsalicylic acidThe risk or severity of bleeding and bruising can be increased when Acetylsalicylic acid is combined with Hyodeoxycholic Acid.
Acetylsalicylic acidThe risk or severity of adverse effects can be increased when Acetylsalicylic acid is combined with Hyodeoxycholic Acid.
AloglutamolThe serum concentration of Hyodeoxycholic Acid can be decreased when it is combined with Aloglutamol.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

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Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
5283820
PubChem Substance
347828138
ChemSpider
4446908
BindingDB
50375596
ChEBI
52023
ChEMBL
CHEMBL272621
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
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-IT , negativeLC-MS/MSsplash10-00di-0009000000-c3fdacd342e61e39bfc6

Taxonomy

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
Dihydroxy bile acid, alcohol, or derivatives / 3-hydroxysteroid / 3-alpha-hydroxysteroid / 6-hydroxysteroid / Hydroxysteroid / Cyclic alcohol / Secondary alcohol / Carboxylic acid / Carboxylic acid derivative / Monocarboxylic acid 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)

Drug created on October 20, 2016 14:48 / Updated on June 04, 2019 07:27