This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Aramchol
- DrugBank Accession Number
- DB11860
- Background
Aramchol has been used in trials studying the treatment of HIV, Gallstones, Fatty Liver, Metabolic Syndrome, and Nonalcoholic Steatohepatitis, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Aramchol (DB11860)
- Weight
- Average: 702.118
Monoisotopic: 701.595824648 - Chemical Formula
- C44H79NO5
- Synonyms
- Not Available
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 softwareAluminium phosphate The serum concentration of Aramchol can be decreased when it is combined with Aluminium phosphate. Aluminum chloride The serum concentration of Aramchol can be decreased when it is combined with Aluminum chloride. Aluminum chlorohydrate The serum concentration of Aramchol can be decreased when it is combined with Aluminum chlorohydrate. Aluminum hydroxide The serum concentration of Aramchol can be decreased when it is combined with Aluminum hydroxide. Aluminum oxide The serum concentration of Aramchol can be decreased when it is combined with Aluminum oxide. - Food Interactions
- Not Available
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
- Pregnane-type alkaloids / 12-hydroxysteroids / 7-hydroxysteroids / Azasteroids and derivatives / Alkaloids and derivatives / N-acyl amines / Secondary carboxylic acid amides / Secondary alcohols / Cyclic alcohols and derivatives / Monocarboxylic acids and derivatives show 6 more
- Substituents
- 12-hydroxysteroid / 7-hydroxysteroid / Alcohol / Aliphatic homopolycyclic compound / Alkaloid or derivatives / Azasteroid / Carbonyl group / Carboxamide group / Carboxylic acid / Carboxylic acid derivative show 18 more
- Molecular Framework
- Aliphatic homopolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- QE1Q24M65Y
- CAS number
- 246529-22-6
- InChI Key
- SHKXZIQNFMOPBS-OOMQYRRCSA-N
- InChI
- InChI=1S/C44H79NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)45-34-27-28-43(3)33(29-34)30-38(46)42-36-25-24-35(32(2)23-26-41(49)50)44(36,4)39(47)31-37(42)43/h32-39,42,46-47H,5-31H2,1-4H3,(H,45,48)(H,49,50)/t32-,33+,34+,35-,36+,37+,38-,39+,42+,43+,44-/m1/s1
- IUPAC Name
- (4R)-4-[(1S,2S,5S,7S,9R,10R,11S,14R,15R,16S)-9,16-dihydroxy-5-icosanamido-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
- SMILES
- CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]23)C1
References
- General References
- Not Available
- External Links
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data3 Suspended Treatment Coronavirus Disease 2019 (COVID‑19) / Non-Alcoholic Steatohepatitis (NASH) 1 somestatus stop reason just information to hide 2 Completed Treatment Fatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD / Human Immunodeficiency Virus (HIV) Infections 1 somestatus stop reason just information to hide 2 Completed Treatment Fatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD / Steatohepatitis, Nonalcoholic / Syndrome, Metabolic 1 somestatus stop reason just information to hide 2 Completed Treatment Fatty Liver / Liver Disease / Liver Fibroses / Steatohepatitis, Nonalcoholic 1 somestatus stop reason just information to hide 2 Suspended Treatment Primary Sclerosing Cholangitis (PSC) 1 somestatus stop reason just information to hide
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 7.83e-05 mg/mL ALOGPS logP 8.31 ALOGPS logP 10.45 Chemaxon logS -7 ALOGPS pKa (Strongest Acidic) 4.48 Chemaxon pKa (Strongest Basic) -0.088 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 106.86 Å2 Chemaxon Rotatable Bond Count 23 Chemaxon Refractivity 204.73 m3·mol-1 Chemaxon Polarizability 90.31 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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]- 334.0122059 predictedDarkChem Lite v0.1.0 [M-H]- 264.81702 predictedDeepCCS 1.0 (2019) [M+H]+ 332.0944059 predictedDarkChem Lite v0.1.0 [M+H]+ 266.47018 predictedDeepCCS 1.0 (2019) [M+Na]+ 332.2353059 predictedDarkChem Lite v0.1.0 [M+Na]+ 272.627 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:54 / Updated at June 12, 2020 16:53