Filorexant
Star1
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
- Filorexant
- DrugBank Accession Number
- DB12158
- Background
Filorexant has been used in trials studying the prevention and treatment of Migraine, Headache, Polysomnography, Diabetic Neuropathy, Painful, and Major Depressive Disorder, Recurrent.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 420.488
Monoisotopic: 420.196154224 - Chemical Formula
- C24H25FN4O2
- Synonyms
- Filorexant
- External IDs
- MK-6096
Pharmacology
- Indication
Not Available
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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
- 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzoyl derivatives
- Direct Parent
- 1-benzoylpiperidines
- Alternative Parents
- N-benzoylpiperidines / N,N-dialkyl-m-toluamides / Benzamides / Alkyl aryl ethers / Pyrimidines and pyrimidine derivatives / Pyridines and derivatives / Aryl fluorides / Tertiary carboxylic acid amides / Heteroaromatic compounds / Azacyclic compounds show 4 more
- Substituents
- 1-benzoylpiperidine / Alkyl aryl ether / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzamide / Benzoic acid or derivatives / Carboxamide group / Carboxylic acid derivative show 21 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- E6BTT8VA5Z
- CAS number
- 1088991-73-4
- InChI Key
- NPFDWHQSDBWQLH-QZTJIDSGSA-N
- InChI
- InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1
- IUPAC Name
- 2-{2-[(2R,5R)-5-{[(5-fluoropyridin-2-yl)oxy]methyl}-2-methylpiperidine-1-carbonyl]-4-methylphenyl}pyrimidine
- SMILES
- C[C@@H]1CC[C@@H](COC2=CC=C(F)C=N2)CN1C(=O)C1=CC(C)=CC=C1C1=NC=CC=N1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 25128145
- PubChem Substance
- 347828451
- ChemSpider
- 28528372
- BindingDB
- 104692
- ChEMBL
- CHEMBL2107822
- ZINC
- ZINC000043201232
- PDBe Ligand
- NT5
- Wikipedia
- Filorexant
- PDB Entries
- 6tp6
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 data2 Completed Prevention Headache / Migraine 1 somestatus stop reason just information to hide 2 Completed Treatment Painful Diabetic Neuropathy (PDN) 1 somestatus stop reason just information to hide 2 Completed Treatment Primary Insomnia 1 somestatus stop reason just information to hide 2 Terminated Treatment Major Depressive Disorder, Recurrent 1 somestatus stop reason just information to hide 1 Completed Treatment Polysomnography 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 0.0203 mg/mL ALOGPS logP 3.69 ALOGPS logP 4.2 Chemaxon logS -4.3 ALOGPS pKa (Strongest Basic) 1.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 68.21 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 127.54 m3·mol-1 Chemaxon Polarizability 45.27 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No 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 splash10-0002-0900400000-5a0cb02628100890fb31 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014j-0138900000-dc796425d7f7be9dbdf3 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0900100000-162851225e9348cd9e55 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-05mo-2329200000-41facb1767569afe7dba Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01bc-2901100000-d8deb5b2f0fb2334c0fe Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00kf-4392100000-5f758dabfbbd726291cf 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]- 193.61952 predictedDeepCCS 1.0 (2019) [M+H]+ 196.01509 predictedDeepCCS 1.0 (2019) [M+Na]+ 201.92763 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:29 / Updated at February 21, 2021 18:53