This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
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
Structure for Fluindione (DB13136)
- Weight
- Average: 240.233
Monoisotopic: 240.058657693 - Chemical Formula
- C15H9FO2
- Synonyms
- Fluindione
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbatacept The metabolism of Fluindione can be increased when combined with Abatacept. Abciximab The risk or severity of bleeding can be increased when Abciximab is combined with Fluindione. Abrocitinib The metabolism of Abrocitinib can be decreased when combined with Fluindione. Aceclofenac The risk or severity of bleeding and hemorrhage can be increased when Aceclofenac is combined with Fluindione. Acemetacin The 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
- External Links
- PubChem Compound
- 68942
- PubChem Substance
- 347829254
- ChemSpider
- 62167
- BindingDB
- 50280156
- 50097
- ChEBI
- 134975
- ChEMBL
- CHEMBL24924
- ZINC
- ZINC000100091724
- Wikipedia
- Fluindione
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample dataNot Available Completed Not Available Atrial Fibrillation 1 somestatus stop reason just information to hide Not Available Completed Not Available Pulmonary Arterial Hypertension (PAH) 1 somestatus stop reason just information to hide 4 Completed Treatment Anticoagulation Treatment at Least > or = to 12-month / Atrial Fibrillation (Permanent) / Pulmonary Embolism / Venous Thrombosis (Disorder) 1 somestatus stop reason just information to hide 4 Completed Treatment Atrial Fibrillation 1 somestatus stop reason just information to hide 4 Completed Treatment Coagulation Disorder 1 somestatus stop reason just information to hide
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 splash10-0006-0090000000-0ee17d07067911d11df3 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0090000000-1f4435f81a588e0d0754 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000f-0790000000-ac8ee05529060ae7e984 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0090000000-b23037eec07316d6ae72 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-1900000000-3dc4cb45c629181d4dbb Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-4960000000-73d3f0bf22acc2bab867 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 152.71812 predictedDeepCCS 1.0 (2019) [M+H]+ 155.07613 predictedDeepCCS 1.0 (2019) [M+Na]+ 161.16927 predictedDeepCCS 1.0 (2019)
Enzymes
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Substrate
- General Function
- A cytochrome P450 monooxygenase involved in the metabolism of various endogenous substrates, including fatty acids and steroids (PubMed:12865317, PubMed:15766564, PubMed:19965576, PubMed:21576599, PubMed:7574697, PubMed:9435160, PubMed:9866708). Mechanistically, uses molecular oxygen inserting one oxygen atom into a substrate, and reducing the second into a water molecule, with two electrons provided by NADPH via cytochrome P450 reductase (NADPH--hemoprotein reductase) (PubMed:12865317, PubMed:15766564, PubMed:19965576, PubMed:21576599, PubMed:7574697, PubMed:9435160, PubMed:9866708). Catalyzes the epoxidation of double bonds of polyunsaturated fatty acids (PUFA) (PubMed:15766564, PubMed:19965576, PubMed:7574697, PubMed:9866708). Catalyzes the hydroxylation of carbon-hydrogen bonds. Metabolizes cholesterol toward 25-hydroxycholesterol, a physiological regulator of cellular cholesterol homeostasis (PubMed:21576599). Exhibits low catalytic activity for the formation of catechol estrogens from 17beta-estradiol (E2) and estrone (E1), namely 2-hydroxy E1 and E2 (PubMed:12865317). Catalyzes bisallylic hydroxylation and hydroxylation with double-bond migration of polyunsaturated fatty acids (PUFA) (PubMed:9435160, PubMed:9866708). Also metabolizes plant monoterpenes such as limonene. Oxygenates (R)- and (S)-limonene to produce carveol and perillyl alcohol (PubMed:11950794). Contributes to the wide pharmacokinetics variability of the metabolism of drugs such as S-warfarin, diclofenac, phenytoin, tolbutamide and losartan (PubMed:25994031)
- Specific Function
- (R)-limonene 6-monooxygenase activity
- 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. [Article]
Drug created at October 21, 2016 03:35 / Updated at February 21, 2021 18:54