This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Nizofenone
- DrugBank Accession Number
- DB13546
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Nizofenone (DB13546)
- Weight
- Average: 412.87
Monoisotopic: 412.1302183 - Chemical Formula
- C21H21ClN4O3
- Synonyms
- Nizofenone
Pharmacology
- Indication
Not Available
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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 softwareAcebutolol Acebutolol may increase the arrhythmogenic activities of Nizofenone. Acetyldigitoxin Acetyldigitoxin may increase the arrhythmogenic activities of Nizofenone. Acrivastine The risk or severity of QTc prolongation can be increased when Acrivastine is combined with Nizofenone. Adenosine Adenosine may increase the arrhythmogenic activities of Nizofenone. Ajmaline Ajmaline may increase the arrhythmogenic activities of Nizofenone. - Food Interactions
- Not Available
Categories
- ATC Codes
- N06BX10 — Nizofenone
- Drug Categories
- Antiarrhythmic agents
- Cardiovascular Agents
- Central Nervous System Agents
- Compounds used in a research, industrial, or household setting
- Moderate Risk QTc-Prolonging Agents
- Nervous System
- Neuroprotective Agents
- Protective Agents
- Psychoanaleptics
- Psychostimulants, Agents Used for ADHD and Nootropics
- QTc Prolonging Agents
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzophenones
- Direct Parent
- Benzophenones
- Alternative Parents
- Aryl-phenylketones / Diphenylmethanes / Phenylimidazoles / Nitrobenzenes / Benzoyl derivatives / Nitroaromatic compounds / Aralkylamines / Chlorobenzenes / N-substituted imidazoles / Aryl chlorides show 11 more
- Substituents
- 1-phenylimidazole / Allyl-type 1,3-dipolar organic compound / Amine / Aralkylamine / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Aryl ketone / Aryl-phenylketone / Azacycle show 31 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 7A2NOC3R88
- CAS number
- 54533-85-6
- InChI Key
- WZGBZLHGOVJDET-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H21ClN4O3/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22/h5-13H,3-4,14H2,1-2H3
- IUPAC Name
- ({1-[2-(2-chlorobenzoyl)-4-nitrophenyl]-1H-imidazol-2-yl}methyl)diethylamine
- SMILES
- CCN(CC)CC1=NC=CN1C1=C(C=C(C=C1)N(=O)=O)C(=O)C1=CC=CC=C1Cl
References
- General References
- Not Available
- External Links
- ChemSpider
- 4357
- ChEBI
- 135668
- ChEMBL
- CHEMBL2106822
- ZINC
- ZINC000000538096
- Wikipedia
- Nizofenone
Clinical Trials
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 0.00733 mg/mL ALOGPS logP 4.2 ALOGPS logP 4.47 Chemaxon logS -4.8 ALOGPS pKa (Strongest Basic) 6.73 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 83.95 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 124.08 m3·mol-1 Chemaxon Polarizability 41.25 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key 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]- 192.64651 predictedDeepCCS 1.0 (2019) [M+H]+ 195.00452 predictedDeepCCS 1.0 (2019) [M+Na]+ 202.94496 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:44 / Updated at February 21, 2021 18:54