Ifetroban
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
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
- Weight
- Average: 440.54
Monoisotopic: 440.231122138 - Chemical Formula
- C25H32N2O5
- Synonyms
- Ifetroban
- External IDs
- BMS-180291
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AThromboxane A2 receptor antagonistHumans - 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.
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. - 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
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Active Not Recruiting Treatment Cardiovascular Disease (CVD) / Vasodilation 1 somestatus stop reason just information to hide 2 Active Not Recruiting Treatment Malignant Solid Neoplasms 1 somestatus stop reason just information to hide 2 Completed Treatment Aspirin Exacerbated Asthma 1 somestatus stop reason just information to hide 2 Completed Treatment Aspirin Exacerbated Asthma / Aspirin Exacerbated Respiratory Disease (AERD) / Aspirin-sensitive Asthma With Nasal Polyps / Nasal Polyps 1 somestatus stop reason just information to hide 2 Completed Treatment Aspirin Exacerbated Respiratory Disease (AERD) 1 somestatus stop reason just information to hide
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 splash10-0006-0004900000-d70da4b9f0ba5a9917d1 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0003900000-e30e3b39da4f3a77b649 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0ab9-4002900000-6858c12a112fe05581e9 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-052r-5318900000-a8b2377e2e40a1c193f1 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4l-9113300000-37fb9a9de407c1bfa465 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00ko-9363400000-aea941a779636fcba501 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]- 218.4029508 predictedDarkChem Lite v0.1.0 [M-H]- 209.29076 predictedDeepCCS 1.0 (2019) [M+H]+ 216.5647508 predictedDarkChem Lite v0.1.0 [M+H]+ 211.68633 predictedDeepCCS 1.0 (2019) [M+Na]+ 216.2212508 predictedDarkChem Lite v0.1.0 [M+Na]+ 217.59886 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsThromboxane A2 receptor
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Antagonist
- General Function
- Receptor for thromboxane A2 (TXA2), a potent stimulator of platelet aggregation. The activity of this receptor is mediated by a G-protein that activates a phosphatidylinositol-calcium second messenger system. In the kidney, the binding of TXA2 to glomerular TP receptors causes intense vasoconstriction. Activates phospholipase C
- Specific Function
- guanyl-nucleotide exchange factor activity
- Gene Name
- TBXA2R
- Uniprot ID
- P21731
- Uniprot Name
- Thromboxane A2 receptor
- Molecular Weight
- 37430.69 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 20, 2016 21:57 / Updated at August 27, 2024 19:15