Indobufen

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

Identification

Name
Indobufen
Accession Number
DB12545
Type
Small Molecule
Groups
Investigational
Description

Indobufen has been used in trials studying the supportive care and prevention of Atrial Fibrillation.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
6T9949G4LZ
CAS number
63610-08-2
Weight
Average: 295.338
Monoisotopic: 295.120843411
Chemical Formula
C18H17NO3
InChI Key
AYDXAULLCROVIT-UHFFFAOYSA-N
InChI
InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)
IUPAC Name
2-[4-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]butanoic acid
SMILES
CCC(C(O)=O)C1=CC=C(C=C1)N1CC2=CC=CC=C2C1=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
DrugInteraction
(R)-warfarinThe risk or severity of bleeding and hemorrhage can be increased when Indobufen is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding and hemorrhage can be increased when Indobufen is combined with (S)-Warfarin.
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic AcidThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Indobufen is combined with 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid.
4-hydroxycoumarinThe risk or severity of bleeding and hemorrhage can be increased when Indobufen is combined with 4-hydroxycoumarin.
AbacavirIndobufen may decrease the excretion rate of Abacavir which could result in a higher serum level.
AbciximabIndobufen may increase the anticoagulant activities of Abciximab.
AcarboseIndobufen may decrease the excretion rate of Acarbose which could result in a higher serum level.
AcebutololIndobufen may decrease the antihypertensive activities of Acebutolol.
AceclofenacThe risk or severity of adverse effects can be increased when Aceclofenac is combined with Indobufen.
AcemetacinThe risk or severity of adverse effects can be increased when Indobufen is combined with Acemetacin.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
107641
PubChem Substance
347828770
ChemSpider
96823
ChEBI
135239
ChEMBL
CHEMBL1765292
Wikipedia
Indobufen
ATC Codes
B01AC10 — Indobufen

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Unknown StatusSupportive CareHealthy Volunteers1
3CompletedPreventionNonvalvular Atrial Fibrillation1

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 Solubility0.0781 mg/mLALOGPS
logP3.04ALOGPS
logP3.31ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)3.83ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area57.61 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity83.75 m3·mol-1ChemAxon
Polarizability32.14 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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 isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Sub Class
Isoindolines
Direct Parent
Isoindolones
Alternative Parents
Phenylpropanes / Isoindoles / Tertiary carboxylic acid amides / Lactams / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides
show 2 more
Substituents
Isoindolone / Isoindole / Phenylpropane / Monocyclic benzene moiety / Benzenoid / Tertiary carboxylic acid amide / Carboxamide group / Lactam / Carboxylic acid derivative / Carboxylic acid
show 11 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:47 / Updated on November 02, 2018 07:26