Oxfenicine
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Identification
- Generic Name
- Oxfenicine
- DrugBank Accession Number
- DB04291
- Background
Oxfenicine in an inhibitor of myocardial metabolism of nonesterified fatty acids (NEFA).
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 167.162
Monoisotopic: 167.058243159 - Chemical Formula
- C8H9NO3
- Synonyms
- (2S)-Amino(4-Hydroxyphenyl)Acetic Acid
- (S)-(4-hydroxyphenyl)glycine
- L-2-(p-hydroxyphenyl)glycine
- L-4-hydroxyphenylglycine
- Oxfenicine
- External IDs
- UK-25,842
- UK-25842
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
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- L-alpha-amino acids
- Alternative Parents
- Aralkylamines / 1-hydroxy-2-unsubstituted benzenoids / Benzene and substituted derivatives / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives show 1 more
- Substituents
- 1-hydroxy-2-unsubstituted benzenoid / Amine / Amino acid / Aralkylamine / Aromatic homomonocyclic compound / Benzenoid / Carbonyl group / Carboxylic acid / Hydrocarbon derivative / L-alpha-amino acid show 11 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- 4-hydroxyphenylglycine (CHEBI:31755)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 9YH0WH2Z02
- CAS number
- 32462-30-9
- InChI Key
- LJCWONGJFPCTTL-ZETCQYMHSA-N
- InChI
- InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
- IUPAC Name
- (2S)-2-amino-2-(4-hydroxyphenyl)acetic acid
- SMILES
- N[C@H](C(O)=O)C1=CC=C(O)C=C1
References
- General References
- Jodalen H, Ytrehus K, Moen P, Hokland B, Mjos OD: Oxfenicine-induced accumulation of lipid in the rat myocardium. J Mol Cell Cardiol. 1988 Mar;20(3):277-82. [Article]
- External Links
- KEGG Drug
- D05292
- KEGG Compound
- C12323
- PubChem Compound
- 36143
- PubChem Substance
- 46508228
- ChemSpider
- 33241
- BindingDB
- 50403035
- ChEBI
- 31755
- ChEMBL
- CHEMBL1232077
- ZINC
- ZINC000006667724
- PDBe Ligand
- D4P
- PDB Entries
- 1dsr / 1w7q / 1w7r / 4mex / 6m5e / 8gic
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 7.44 mg/mL ALOGPS logP -2.4 ALOGPS logP -1.8 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 1.74 Chemaxon pKa (Strongest Basic) 8.57 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 83.55 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 42.34 m3·mol-1 Chemaxon Polarizability 16.18 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 139.2225033 predictedDarkChem Lite v0.1.0 [M-H]- 139.1530033 predictedDarkChem Lite v0.1.0 [M-H]- 135.14339 predictedDeepCCS 1.0 (2019) [M+H]+ 140.6068033 predictedDarkChem Lite v0.1.0 [M+H]+ 140.3552033 predictedDarkChem Lite v0.1.0 [M+H]+ 137.53897 predictedDeepCCS 1.0 (2019) [M+Na]+ 139.5620033 predictedDarkChem Lite v0.1.0 [M+Na]+ 139.5823033 predictedDarkChem Lite v0.1.0 [M+Na]+ 143.79933 predictedDeepCCS 1.0 (2019)
Drug created at June 13, 2005 13:24 / Updated at February 21, 2021 18:51