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

Identification

Name
Fluindione
Accession Number
DB13136
Type
Small Molecule
Groups
Approved, Investigational
Description

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.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
EQ35YMS20Q
CAS number
957-56-2
Weight
Average: 240.233
Monoisotopic: 240.058657693
Chemical Formula
C15H9FO2
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

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
(4R)-limonene(4R)-limonene may increase the anticoagulant activities of Fluindione.
AbciximabThe risk or severity of bleeding can be increased when Abciximab is combined with Fluindione.
AceclofenacAceclofenac may increase the anticoagulant activities of Fluindione.
AcemetacinThe risk or severity of bleeding can be increased when Fluindione is combined with Acemetacin.
AcenocoumarolAcenocoumarol may increase the anticoagulant activities of Fluindione.
AcetaminophenAcetaminophen may increase the anticoagulant activities of Fluindione.
AcetohexamideAcetohexamide may increase the anticoagulant activities of Fluindione.
Acetylsalicylic acidAcetylsalicylic acid may increase the anticoagulant activities of Fluindione.
AlaproclateAlaproclate may increase the anticoagulant activities of Fluindione.
AlclofenacAlclofenac may increase the anticoagulant activities of Fluindione.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
68942
PubChem Substance
347829254
ChemSpider
62167
BindingDB
50280156
ChEBI
134975
ChEMBL
CHEMBL24924
Wikipedia
Fluindione
ATC Codes
B01AA12 — Fluindione

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentNonvalvular Atrial Fibrillation1
4CompletedTreatmentDisorders, Blood Coagulation1
4CompletedTreatmentNonvalvular Atrial Fibrillation1
4RecruitingTreatmentAnticoagulating Treatment on a Duration at Least 12-month-old Superior / Anticoagulation Treatment at Least > or = to 12-month / Permanent Atrial Fibrillation / Pulmonary Embolism (PE) / Thrombosis, Venous1
Not AvailableRecruitingNot AvailablePulmonary Arterial Hypertension (PAH)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
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/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 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
Indanedione / Aryl ketone / Aryl alkyl ketone / Fluorobenzene / Halobenzene / 1,3-diketone / 1,3-dicarbonyl compound / Aryl fluoride / Monocyclic benzene moiety / Aryl halide
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available

Enzymes

Kind
Protein
Organism
Human
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. [PubMed:22149257]
Kind
Protein
Organism
Human
Pharmacological action
No
Actions
Substrate
General Function
Vitamin d3 25-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 performs a variety of oxidation react...
Gene Name
CYP3A4
Uniprot ID
P08684
Uniprot Name
Cytochrome P450 3A4
Molecular Weight
57342.67 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. [PubMed:22149257]

Drug created on October 20, 2016 21:35 / Updated on August 02, 2018 06:48