NAV

Fluindione

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

Identification

Generic Name
Fluindione
DrugBank Accession Number
DB13136
Background

Fluindione is under investigation for the treatment of Venous Thrombosis, Pulmonary Embolism, Permanent Atrial Fibrillation, and Anticoagulating Treatment on a Duration at Least 12-month-old Superior. Fluindione has been investigated for the treatment of Blood Coagulation Disorders.

Type
Small Molecule
Groups
Approved, Investigational
Structure
3D
Similar Structures
Weight
Average: 240.233
Monoisotopic: 240.058657693
Chemical Formula
C15H9FO2
Synonyms
  • Fluindione
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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.
DrugInteraction
Integrate drug-drug
interactions in your software
AbataceptThe metabolism of Fluindione can be increased when combined with Abatacept.
AbciximabThe risk or severity of bleeding can be increased when Abciximab is combined with Fluindione.
AbrocitinibThe metabolism of Abrocitinib can be decreased when combined with Fluindione.
AceclofenacThe risk or severity of bleeding and hemorrhage can be increased when Aceclofenac is combined with Fluindione.
AcemetacinThe risk or severity of bleeding and hemorrhage can be increased when Fluindione is combined with Acemetacin.
Food Interactions
  • Avoid herbs and supplements with anticoagulant/antiplatelet activity. Herbs with anticoagulant activity may have additive effects with fluindione. Examples include garlic, ginger, bilberry, danshen, piracetam, and ginkgo biloba.

Categories

ATC Codes
B01AA12 — Fluindione
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Indanes
Sub Class
Indanones
Direct Parent
Indanediones
Alternative Parents
Aryl alkyl ketones / Fluorobenzenes / Beta-diketones / Aryl fluorides / Organofluorides / Organic oxides / Hydrocarbon derivatives
Substituents
1,3-dicarbonyl compound / 1,3-diketone / Aromatic homopolycyclic compound / Aryl alkyl ketone / Aryl fluoride / Aryl halide / Aryl ketone / Fluorobenzene / Halobenzene / Hydrocarbon derivative
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
EQ35YMS20Q
CAS number
957-56-2
InChI Key
NASXCEITKQITLD-UHFFFAOYSA-N
InChI
InChI=1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
IUPAC Name
2-(4-fluorophenyl)-2,3-dihydro-1H-indene-1,3-dione
SMILES
FC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O

References

General References
Not Available
PubChem Compound
68942
PubChem Substance
347829254
ChemSpider
62167
BindingDB
50280156
RxNav
50097
ChEBI
134975
ChEMBL
CHEMBL24924
ZINC
ZINC000100091724
Wikipedia
Fluindione

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentAnticoagulation Treatment at Least > or = to 12-month / Atrial Fibrillation (Permanent) / Pulmonary Embolism / Venous Thrombosis (Disorder)1
4CompletedTreatmentAtrial Fibrillation1
4CompletedTreatmentCoagulation Disorder1
3CompletedTreatmentAtrial Fibrillation1
Not AvailableCompletedNot AvailableAtrial 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 Solubility0.0549 mg/mLALOGPS
logP3.09ALOGPS
logP3.02Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)4.19Chemaxon
pKa (Strongest Basic)-7.5Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area34.14 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity65.45 m3·mol-1Chemaxon
Polarizability23.35 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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/MSsplash10-0006-0090000000-0ee17d07067911d11df3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-1f4435f81a588e0d0754
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000f-0790000000-ac8ee05529060ae7e984
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-b23037eec07316d6ae72
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-1900000000-3dc4cb45c629181d4dbb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-4960000000-73d3f0bf22acc2bab867
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-152.71812
predicted
DeepCCS 1.0 (2019)
[M+H]+155.07613
predicted
DeepCCS 1.0 (2019)
[M+Na]+161.16927
predicted
DeepCCS 1.0 (2019)

Enzymes

Details1. Cytochrome P450 2C9
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Substrate
General Function
Steroid hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally un...
Gene Name
CYP2C9
Uniprot ID
P11712
Uniprot Name
Cytochrome P450 2C9
Molecular Weight
55627.365 Da
References
  1. Verstuyft C, Delavenne X, Rousseau A, Robert A, Tod M, Diquet B, Lebot M, Jaillon P, Becquemont L: A pharmacokinetic-pharmacodynamic model for predicting the impact of CYP2C9 and VKORC1 polymorphisms on fluindione and acenocoumarol during induction therapy. Clin Pharmacokinet. 2012 Jan 1;51(1):41-53. doi: 10.2165/11595560-000000000-00000. [Article]

Drug created at October 21, 2016 03:35 / Updated at February 21, 2021 18:54