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IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomyFluindione
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
Structure for Fluindione (DB13136)
- 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
Drug Interaction (1,2,6,7-3H)Testosterone The therapeutic efficacy of Fluindione can be increased when used in combination with (1,2,6,7-3H)Testosterone. (R)-warfarin The metabolism of Fluindione can be decreased when combined with (R)-warfarin. (S)-Warfarin The metabolism of Fluindione can be decreased when combined with (S)-Warfarin. 1-Testosterone The therapeutic efficacy of Fluindione can be increased when used in combination with 1-Testosterone. 18-methyl-19-nortestosterone The therapeutic efficacy of Fluindione can be increased when used in combination with 18-methyl-19-nortestosterone. 2,5-Dimethoxy-4-ethylthioamphetamine The risk or severity of adverse effects can be increased when 2,5-Dimethoxy-4-ethylthioamphetamine is combined with Fluindione. 3,4-Methylenedioxyamphetamine The risk or severity of adverse effects can be increased when 3,4-Methylenedioxyamphetamine is combined with Fluindione. 3,5-diiodothyropropionic acid The metabolism of Fluindione can be decreased when combined with 3,5-diiodothyropropionic acid. 4-Bromo-2,5-dimethoxyamphetamine The risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Fluindione. 4-hydroxycoumarin The metabolism of Fluindione can be decreased when combined with 4-hydroxycoumarin. - 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
Phase Status Purpose Conditions Count 3 Completed Treatment Nonvalvular Atrial Fibrillation 1 4 Completed Treatment Disorders, Blood Coagulation 1 4 Completed Treatment Nonvalvular Atrial Fibrillation 1 4 Recruiting Treatment Anticoagulating 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, Venous 1 Not Available Recruiting Not Available Pulmonary 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
Property Value Source Water Solubility 0.0549 mg/mL ALOGPS logP 3.09 ALOGPS logP 3.02 ChemAxon logS -3.6 ALOGPS pKa (Strongest Acidic) 4.19 ChemAxon pKa (Strongest Basic) -7.5 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 2 ChemAxon Hydrogen Donor Count 0 ChemAxon Polar Surface Area 34.14 Å2 ChemAxon Rotatable Bond Count 1 ChemAxon Refractivity 65.45 m3·mol-1 ChemAxon Polarizability 23.35 Å3 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule No 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 Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not 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
- 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
- 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
- Humans
- 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
- 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 November 02, 2018 07:34