Aspartyl-alanyl-diketopiperazine
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Aspartyl-alanyl-diketopiperazine
- Accession Number
- DB14940
- Description
Aspartyl-alanyl-diketopiperazine is under investigation in clinical trial NCT03349645 (An Open Label Extension Study to Assess the Safety of Long-Term Treatment With Ampion for Severe OA of the Knee).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Aspartyl-alanyl-diketopiperazine (DB14940)
- Weight
- Average: 186.167
Monoisotopic: 186.06405681 - Chemical Formula
- C7H10N2O4
- Synonyms
- Not Available
Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Indication
- Not Available
- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- 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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- Not Available
- Affected organisms
- 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
Products
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- Ampion
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Alpha amino acids and derivatives
- Alternative Parents
- 2,5-dioxopiperazines / Secondary carboxylic acid amides / Lactams / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- 1,4-diazinane / 2,5-dioxopiperazine / Aliphatic heteromonocyclic compound / Alpha-amino acid or derivatives / Azacycle / Carbonyl group / Carboxamide group / Carboxylic acid / Dioxopiperazine / Hydrocarbon derivative
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- Not Available
Chemical Identifiers
- UNII
- R9CHM391D5
- CAS number
- 110954-19-3
- InChI Key
- RVLCUCVJZVRNDC-IMJSIDKUSA-N
- InChI
- InChI=1S/C7H10N2O4/c1-3-6(12)9-4(2-5(10)11)7(13)8-3/h3-4H,2H2,1H3,(H,8,13)(H,9,12)(H,10,11)/t3-,4-/m0/s1
- IUPAC Name
- 2-[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]acetic acid
- SMILES
- C[C@@H]1NC(=O)[C@H](CC(O)=O)NC1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 7991203
- ZINC
- ZINC000033961611
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Active Not Recruiting Treatment Severe Osteoarthritis of the Knee 1 3 Completed Treatment Arthritis of the Knee Joint / Knee Pain Chronic / Osteoarthritis of the Knee 1 3 Completed Treatment Osteoarthritis of the Knee 4 3 Terminated Treatment Severe Osteoarthritis of the Knee 1 2 Recruiting Treatment Coronavirus Disease 2019 (COVID‑19) 1 1 Active Not Recruiting Treatment Coronavirus Disease 2019 (COVID‑19) 1 1 Completed Treatment Coronavirus Disease 2019 (COVID‑19) 1 1 Completed Treatment Osteoarthritis of the Hands 1 1, 2 Completed Treatment Osteoarthritis of the Knee 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 9.14 mg/mL ALOGPS logP -1.4 ALOGPS logP -1.7 ChemAxon logS -1.3 ALOGPS pKa (Strongest Acidic) 4.02 ChemAxon pKa (Strongest Basic) -4.5 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 4 ChemAxon Hydrogen Donor Count 3 ChemAxon Polar Surface Area 95.5 Å2 ChemAxon Rotatable Bond Count 2 ChemAxon Refractivity 40.63 m3·mol-1 ChemAxon Polarizability 16.87 Å3 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes 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
- Not Available
Drug created on May 20, 2019 14:36 / Updated on June 12, 2020 16:53