Ifetroban

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Ifetroban
Accession Number
DB12321
Type
Small Molecule
Groups
Investigational
Description

Ifetroban has been used in trials studying the treatment of Skin Diseases, Autoimmune Diseases, Pathologic Processes, Scleroderma, Limited, and Scleroderma, Diffuse, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
BMS-180291
Product Ingredients
IngredientUNIICASInChI Key
Ifetroban Sodium48IJA0E92C156715-37-6WOHSQDNIXPEQAE-QBKVZTCDSA-M
Categories
UNII
E833KT807K
CAS number
143443-90-7
Weight
Average: 440.54
Monoisotopic: 440.231122138
Chemical Formula
C25H32N2O5
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

Pharmacology

Indication
Not Available
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
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.
DrugInteraction
(R)-warfarinThe risk or severity of bleeding can be increased when Ifetroban is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding can be increased when Ifetroban is combined with (S)-Warfarin.
4-hydroxycoumarinThe risk or severity of bleeding can be increased when Ifetroban is combined with 4-hydroxycoumarin.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinolineThe risk or severity of bleeding and hemorrhage can be increased when 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline is combined with Ifetroban.
AbciximabThe risk or severity of bleeding can be increased when Ifetroban is combined with Abciximab.
AceclofenacThe risk or severity of bleeding can be increased when Aceclofenac is combined with Ifetroban.
AcemetacinThe risk or severity of bleeding can be increased when Acemetacin is combined with Ifetroban.
AcenocoumarolThe risk or severity of bleeding can be increased when Ifetroban is combined with Acenocoumarol.
Acetylsalicylic acidAcetylsalicylic acid may increase the antiplatelet activities of Ifetroban.
AlaproclateThe risk or severity of hemorrhage can be increased when Alaproclate is combined with Ifetroban.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

    Learn more
Food Interactions
Not Available

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
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAspirin Exacerbated Respiratory Disease (AERD)1
2CompletedTreatmentHepatorenal Syndrome1
2CompletedTreatmentLiver Cirrhosis / Portal Hypertension1
2RecruitingTreatmentAspirin Exacerbated Asthma1
2RecruitingTreatmentAspirin Exacerbated Asthma / Aspirin-exacerbated Respiratory Disease / Aspirin-sensitive Asthma With Nasal Polyps / Polyps, Nasal1
2RecruitingTreatmentAutoimmune Diseases / Connective Tissue Diseases / Diffuse Systemic Sclerosis / Pathologic Processes / Scleroderma, Limited / Scleroderma, Systemic / Sclerosis, Progressive Systemic / Skin Diseases1
2RecruitingTreatmentCardiovascular Heart Disease / Vascular Dilation1
2RecruitingTreatmentCongestive Cardiomyopathy / Duchenne Muscular Dystrophy Cardiomyopathy1
2SuspendedTreatmentMalignant Solid Tumours1

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
PropertyValueSource
Water Solubility0.0146 mg/mLALOGPS
logP4ALOGPS
logP3.95ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)4.65ChemAxon
pKa (Strongest Basic)-2.2ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area101.66 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity119.24 m3·mol-1ChemAxon
Polarizability48.95 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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

Taxonomy

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
3-phenylpropanoic-acid / 2-heteroaryl carboxamide / 2,4-disubstituted 1,3-oxazole / Monocyclic benzene moiety / Benzenoid / Azole / Heteroaromatic compound / Oxazole / Oxolane / Carboxamide group
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:57 / Updated on June 12, 2020 10:53

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