This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Ozagrel
- DrugBank Accession Number
- DB12017
- Background
Ozagrel has been used in trials studying the treatment of Dry Eye Syndromes.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Ozagrel (DB12017)
- Weight
- Average: 228.251
Monoisotopic: 228.089877634 - Chemical Formula
- C13H12N2O2
- Synonyms
- Ozagrel
- External IDs
- KCT-0809
Pharmacology
- Indication
Not Available
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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.Not Available
- Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Ozagrel Hydrochloride W222U960HS 78712-43-3 CWKFWBJJNNPGAM-IPZCTEOASA-N Ozagrel Sodium 4X5577N3ET 189224-26-8 NCNYJCOBUTXCBR-IPZCTEOASA-M
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Cinnamic acids and derivatives
- Sub Class
- Cinnamic acids
- Direct Parent
- Cinnamic acids
- Alternative Parents
- Styrenes / Imidazolyl carboxylic acids and derivatives / N-substituted imidazoles / Heteroaromatic compounds / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides show 2 more
- Substituents
- Aromatic heteromonocyclic compound / Azacycle / Azole / Benzenoid / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Cinnamic acid / Heteroaromatic compound / Hydrocarbon derivative show 13 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- L256JB984D
- CAS number
- 82571-53-7
- InChI Key
- SHZKQBHERIJWAO-AATRIKPKSA-N
- InChI
- InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
- IUPAC Name
- (2E)-3-{4-[(1H-imidazol-1-yl)methyl]phenyl}prop-2-enoic acid
- SMILES
- OC(=O)\C=C\C1=CC=C(CN2C=CN=C2)C=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 5282440
- PubChem Substance
- 347828334
- ChemSpider
- 4445594
- BindingDB
- 50017896
- ChEBI
- 134938
- ChEMBL
- CHEMBL11662
- ZINC
- ZINC000000005389
- Wikipedia
- Ozagrel
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Treatment Infarction Cerebral 1 3 Completed Not Available Dry Eye With Sjögren's Syndrome 2 3 Terminated Not Available Dry Eye With Sjögren's Syndrome 1 2 Completed Not Available Dry Eye Syndrome (DES) 1 2 Completed Treatment Dry Eye Syndrome (DES) 3
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 0.424 mg/mL ALOGPS logP 1.79 ALOGPS logP 1.19 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 4.21 Chemaxon pKa (Strongest Basic) 6.75 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 55.12 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 65.52 m3·mol-1 Chemaxon Polarizability 23.89 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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]- 167.8746653 predictedDarkChem Lite v0.1.0 [M-H]- 153.37094 predictedDeepCCS 1.0 (2019) [M+H]+ 169.0522653 predictedDarkChem Lite v0.1.0 [M+H]+ 155.7665 predictedDeepCCS 1.0 (2019) [M+Na]+ 168.0302653 predictedDarkChem Lite v0.1.0 [M+Na]+ 161.75426 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:11 / Updated at February 21, 2021 18:53