Oxfenicine

Identification

Name
Oxfenicine
Accession Number
DB04291
Description

Oxfenicine in an inhibitor of myocardial metabolism of nonesterified fatty acids (NEFA).

Type
Small Molecule
Groups
Experimental
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Structure
Thumb
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
External IDs
  • UK-25,842
  • UK-25842

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
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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
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Toxicity
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

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)

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[[email protected]](C(O)=O)C1=CC=C(O)C=C1

References

General References
  1. 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. [PubMed:3398058]
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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility7.44 mg/mLALOGPS
logP-2.4ALOGPS
logP-1.8ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)1.74ChemAxon
pKa (Strongest Basic)8.75ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area83.55 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity42.34 m3·mol-1ChemAxon
Polarizability16.18 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0006-0900000000-2ac00a9b53373d96bfdf
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-014i-0790000000-fb88c896a10c4e77cb82
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
MS/MS Spectrum - , negativeLC-MS/MSsplash10-0159-4900000000-70a89a23f87aaa21abbf

Drug created on June 13, 2005 07:24 / Updated on June 12, 2020 10:52

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