Aceneuramic acid
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Aceneuramic acid
- DrugBank Accession Number
- DB11797
- Background
Aceneuramic acid has been used in trials studying the treatment of Distal Myopathy, Nonaka Type, Hereditary Inclusion Body Myopathy, and Distal Myopathy With Rimmed Vacuoles.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 309.2699
Monoisotopic: 309.105981211 - Chemical Formula
- C11H19NO9
- Synonyms
- Aceneuramic acid
- Acidium aceneuramicum
- Acido aceneuramico
- External IDs
- NPC-09
- UX-001
- UX001
Pharmacology
- Indication
Not Available
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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
- 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.Not Available
- Food Interactions
- Not Available
Categories
- ATC Codes
- M09AX05 — Aceneuramic acid
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Sugar acids and derivatives
- Alternative Parents
- Nonoses / Medium-chain keto acids and derivatives / Amino fatty acids / Hydroxy fatty acids / Alpha-keto acids and derivatives / Beta-hydroxy ketones / Acetamides / Alpha-hydroxy ketones / Secondary carboxylic acid amides / Secondary alcohols show 8 more
- Substituents
- Acetamide / Alcohol / Aliphatic acyclic compound / Alpha-hydroxy ketone / Alpha-keto acid / Amino fatty acid / Beta-hydroxy ketone / Carbonyl group / Carboxamide group / Carboxylic acid show 19 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- GZP2782OP0
- CAS number
- 131-48-6
- InChI Key
- KBGAYAKRZNYFFG-BOHATCBPSA-N
- InChI
- InChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1
- IUPAC Name
- (4S,5R,6R,7S,8R)-5-acetamido-4,6,7,8,9-pentahydroxy-2-oxononanoic acid
- SMILES
- CC(=O)N[C@H]([C@@H](O)CC(=O)C(O)=O)[C@@H](O)[C@H](O)[C@H](O)CO
References
- General References
- Not Available
- External Links
- PubChem Compound
- 14017587
- PubChem Substance
- 347828146
- ChemSpider
- 10292217
- 2613558
- ChEMBL
- CHEMBL2105945
- ZINC
- ZINC000004214715
- PDBe Ligand
- SI3
- Wikipedia
- N-Acetylneuraminic_acid
- PDB Entries
- 4bwl / 4imf / 6rd1
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Distal Myopathy With Rimmed Vacuoles (DMRV) / GNE Myopathy 2 3 Terminated Treatment Distal Myopathy With Rimmed Vacuoles (DMRV) / GNE Myopathy / Quadriceps Sparing Myopathy (QSM) 1 2 Completed Treatment Thrombocytopenia 1 2 Terminated Treatment Distal Myopathy With Rimmed Vacuoles (DMRV) / GNE Myopathy / Inclusion Body Myopathy 2 / Quadriceps Sparing Myopathy (QSM) 1 1 Completed Treatment GNE Myopathy 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 35.9 mg/mL ALOGPS logP -2.5 ALOGPS logP -4 Chemaxon logS -0.93 ALOGPS pKa (Strongest Acidic) 2.95 Chemaxon pKa (Strongest Basic) -1.3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 7 Chemaxon Polar Surface Area 184.62 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 65.31 m3·mol-1 Chemaxon Polarizability 28.42 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five No 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
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-01ox-9460000000-2be5efbcb3fa1ccd507f Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-01ox-0394000000-801fa454889f9cc02bb4 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0590000000-259e7941aa2ef6867b31 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0233-1910000000-fd8ffb3ec04c1000d246 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0uxv-1910000000-9655943fd71dc24f8641 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00du-9500000000-4ba314bdae48e1be2370 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0jb9-2900000000-904c5199f4aa4b01c64f Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 177.1944514 predictedDarkChem Lite v0.1.0 [M-H]- 178.0758514 predictedDarkChem Lite v0.1.0 [M-H]- 171.49904 predictedDeepCCS 1.0 (2019) [M+H]+ 176.8764514 predictedDarkChem Lite v0.1.0 [M+H]+ 177.4994514 predictedDarkChem Lite v0.1.0 [M+H]+ 173.39445 predictedDeepCCS 1.0 (2019) [M+Na]+ 177.1914514 predictedDarkChem Lite v0.1.0 [M+Na]+ 177.7225514 predictedDarkChem Lite v0.1.0 [M+Na]+ 179.18584 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:48 / Updated at February 21, 2021 18:53