Nizofenone

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Nizofenone
Accession Number
DB13546
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Categories
UNII
7A2NOC3R88
CAS number
54533-85-6
Weight
Average: 412.87
Monoisotopic: 412.1302183
Chemical Formula
C21H21ClN4O3
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

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
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.
DrugInteraction
AbexinostatThe risk or severity of QTc prolongation can be increased when Abexinostat is combined with Nizofenone.
AcebutololThe risk or severity of QTc prolongation can be increased when Acebutolol is combined with Nizofenone.
AceprometazineThe risk or severity of QTc prolongation can be increased when Aceprometazine is combined with Nizofenone.
AcetyldigitoxinAcetyldigitoxin may increase the arrhythmogenic activities of Nizofenone.
AcetyldigoxinThe risk or severity of QTc prolongation can be increased when Acetyldigoxin is combined with Nizofenone.
AcrivastineThe risk or severity of QTc prolongation can be increased when Acrivastine is combined with Nizofenone.
AdenosineThe risk or severity of QTc prolongation can be increased when Adenosine is combined with Nizofenone.
AgmatineAgmatine may increase the arrhythmogenic activities of Nizofenone.
AjmalineThe risk or severity of QTc prolongation can be increased when Ajmaline is combined with Nizofenone.
AlfuzosinThe risk or severity of QTc prolongation can be increased when Alfuzosin is combined with Nizofenone.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
4357
ChEBI
135668
ChEMBL
CHEMBL2106822
Wikipedia
Nizofenone
ATC Codes
N06BX10 — Nizofenone

Clinical Trials

Clinical Trials
Not Available

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
PropertyValueSource
Water Solubility0.00733 mg/mLALOGPS
logP4.2ALOGPS
logP4.47ChemAxon
logS-4.8ALOGPS
pKa (Strongest Basic)6.73ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area83.95 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity124.08 m3·mol-1ChemAxon
Polarizability41.25 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Benzophenone / Diphenylmethane / Aryl-phenylketone / 1-phenylimidazole / Nitrobenzene / Nitroaromatic compound / Benzoyl / Aryl ketone / Chlorobenzene / Halobenzene
show 31 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:44 / Updated on September 02, 2019 20:02