Brofaromine
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Brofaromine
- DrugBank Accession Number
- DB13876
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 310.191
Monoisotopic: 309.036442 - Chemical Formula
- C14H16BrNO2
- Synonyms
- Brofaromine
- Consonar
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UAmine oxidase [flavin-containing] A inhibitorHumans - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
Hover over products below to view reaction partners
- 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 software1,2-Benzodiazepine The risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Brofaromine. Abaloparatide Brofaromine may increase the orthostatic hypotensive activities of Abaloparatide. Abciximab The risk or severity of bleeding and hemorrhage can be increased when Brofaromine is combined with Abciximab. Acarbose Brofaromine may increase the hypoglycemic activities of Acarbose. Acebutolol Brofaromine may increase the hypotensive activities of Acebutolol. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzofurans
- Sub Class
- Not Available
- Direct Parent
- Benzofurans
- Alternative Parents
- Anisoles / Aralkylamines / Alkyl aryl ethers / Piperidines / Aryl bromides / Heteroaromatic compounds / Furans / Oxacyclic compounds / Dialkylamines / Azacyclic compounds show 3 more
- Substituents
- Alkyl aryl ether / Amine / Anisole / Aralkylamine / Aromatic heteropolycyclic compound / Aryl bromide / Aryl halide / Azacycle / Benzenoid / Benzofuran show 15 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6WV4B8Q07H
- CAS number
- 63638-91-5
- InChI Key
- WZXHSWVDAYOFPE-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H16BrNO2/c1-17-11-6-10-7-13(9-2-4-16-5-3-9)18-14(10)12(15)8-11/h6-9,16H,2-5H2,1H3
- IUPAC Name
- 4-(7-bromo-5-methoxy-1-benzofuran-2-yl)piperidine
- SMILES
- COC1=CC2=C(OC(=C2)C2CCNCC2)C(Br)=C1
References
- General References
- Not Available
- External Links
- KEGG Drug
- D02560
- PubChem Compound
- 44571
- PubChem Substance
- 347829328
- ChemSpider
- 40549
- BindingDB
- 50288969
- ChEMBL
- CHEMBL160347
- ZINC
- ZINC000000001046
- Wikipedia
- Brofaromine
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0321 mg/mL ALOGPS logP 3.36 ALOGPS logP 2.69 Chemaxon logS -4 ALOGPS pKa (Strongest Basic) 9.9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 34.4 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 74.36 m3·mol-1 Chemaxon Polarizability 29.92 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 splash10-03di-0009000000-121764c02ea72b105be8 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-4009000000-89680e3c78aed2493732 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0029000000-7d644d19e57567d8046e Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a6r-4059000000-9119ee3ba83bcf9d8b4f Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00l6-3290000000-a356f1dab8701a27ece2 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9020000000-829378688cdfa74865cc 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]- 162.17082 predictedDeepCCS 1.0 (2019) [M+H]+ 164.52885 predictedDeepCCS 1.0 (2019) [M+Na]+ 170.62212 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsAmine oxidase [flavin-containing] A
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Inhibitor
- General Function
- Serotonin binding
- Specific Function
- Catalyzes the oxidative deamination of biogenic and xenobiotic amines and has important functions in the metabolism of neuroactive and vasoactive amines in the central nervous system and peripheral...
- Gene Name
- MAOA
- Uniprot ID
- P21397
- Uniprot Name
- Amine oxidase [flavin-containing] A
- Molecular Weight
- 59681.27 Da
References
- Lotufo-Neto F, Trivedi M, Thase ME: Meta-analysis of the reversible inhibitors of monoamine oxidase type A moclobemide and brofaromine for the treatment of depression. Neuropsychopharmacology. 1999 Mar;20(3):226-47. [Article]
Drug created at August 02, 2017 19:35 / Updated at February 21, 2021 18:54