This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Ifetroban
- DrugBank Accession Number
- DB12321
- Background
Ifetroban has been used in trials studying the treatment of Skin Diseases, Autoimmune Diseases, Pathologic Processes, Scleroderma, Limited, and Scleroderma, Diffuse, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Ifetroban (DB12321)
- Weight
- Average: 440.54
Monoisotopic: 440.231122138 - Chemical Formula
- C25H32N2O5
- Synonyms
- Ifetroban
- External IDs
- BMS-180291
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbciximab The risk or severity of bleeding can be increased when Ifetroban is combined with Abciximab. Abrocitinib The risk or severity of bleeding and thrombocytopenia can be increased when Ifetroban is combined with Abrocitinib. Aceclofenac The risk or severity of bleeding can be increased when Aceclofenac is combined with Ifetroban. Acemetacin The risk or severity of bleeding can be increased when Acemetacin is combined with Ifetroban. Acenocoumarol The risk or severity of bleeding can be increased when Ifetroban is combined with Acenocoumarol. Acetylsalicylic acid Acetylsalicylic acid may increase the antiplatelet activities of Ifetroban. Alclofenac The risk or severity of bleeding can be increased when Alclofenac is combined with Ifetroban. Aldesleukin The risk or severity of bleeding can be increased when Ifetroban is combined with Aldesleukin. Alemtuzumab The risk or severity of bleeding can be increased when Ifetroban is combined with Alemtuzumab. Alteplase The risk or severity of bleeding can be increased when Ifetroban is combined with Alteplase. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - 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 Ifetroban Sodium 48IJA0E92C 156715-37-6 WOHSQDNIXPEQAE-QBKVZTCDSA-M
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Phenylpropanoic acids
- Sub Class
- Not Available
- Direct Parent
- Phenylpropanoic acids
- Alternative Parents
- 2-heteroaryl carboxamides / 2,4-disubstituted oxazoles / Benzene and substituted derivatives / Oxolanes / Heteroaromatic compounds / Secondary carboxylic acid amides / Oxacyclic compounds / Monocarboxylic acids and derivatives / Dialkyl ethers / Carboxylic acids show 5 more
- Substituents
- 2,4-disubstituted 1,3-oxazole / 2-heteroaryl carboxamide / 3-phenylpropanoic-acid / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid show 17 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- E833KT807K
- CAS number
- 143443-90-7
- InChI Key
- BBPRUNPUJIUXSE-DXKRWKNPSA-N
- InChI
- InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)/t18-,20-,21+,23-/m0/s1
- IUPAC Name
- 3-(2-{[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl}phenyl)propanoic acid
- SMILES
- CCCCCNC(=O)C1=COC(=N1)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1CC1=CC=CC=C1CCC(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 3037233
- PubChem Substance
- 347828584
- ChemSpider
- 16736637
- BindingDB
- 50212318
- ChEMBL
- CHEMBL3301673
- ZINC
- ZINC000003793091
- Wikipedia
- Ifetroban
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Aspirin Exacerbated Respiratory Disease (AERD) 1 2 Completed Treatment Cirrhosis of the Liver / Portal Hypertension 1 2 Completed Treatment Hepato-Renal Syndrome 1 2 Recruiting Treatment Aspirin Exacerbated Asthma 1 2 Recruiting Treatment Aspirin Exacerbated Asthma / Aspirin Exacerbated Respiratory Disease (AERD) / Aspirin-sensitive Asthma With Nasal Polyps / Polyps, Nasal 1 2 Recruiting Treatment Autoimmune Disorder / Connective Tissue Diseases / Pathologic Processes / Scleroderma, Limited / Scleroderma, Systemic / Skin Diseases / Systemic Sclerosis, Diffuse / Systemic; Sclerosis, Progressive 1 2 Recruiting Treatment Cardiovascular Disease (CVD) / Vasodilation 1 2 Recruiting Treatment Dilated Cardiomyopathy (DCM) / Duchenne Muscular Dystrophy Cardiomyopathy 1 2 Recruiting Treatment Solid Malignant Tumors 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 0.0146 mg/mL ALOGPS logP 4 ALOGPS logP 3.95 ChemAxon logS -4.5 ALOGPS pKa (Strongest Acidic) 4.65 ChemAxon pKa (Strongest Basic) -2.2 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 101.66 Å2 ChemAxon Rotatable Bond Count 11 ChemAxon Refractivity 119.24 m3·mol-1 ChemAxon Polarizability 48.95 Å3 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule Yes ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 21:57 / Updated at February 21, 2021 18:53