NAV

Nimorazole

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

Identification

Generic Name
Nimorazole
DrugBank Accession Number
DB12172
Background

Nimorazole has been used in trials studying the treatment of Hypoxia, Radiotherapy, Hypoxic Modification, Gene Profile, Gene Signature, and Head and Neck Squamous Cell Carcinoma, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 226.236
Monoisotopic: 226.106590327
Chemical Formula
C9H14N4O3
Synonyms
  • Nimorazole
External IDs
  • K-1900

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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

ATC Codes
P01AB06 — Nimorazole
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as nitroimidazoles. These are compounds containing an imidazole ring which bears a nitro group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Imidazoles
Direct Parent
Nitroimidazoles
Alternative Parents
Nitroaromatic compounds / N-substituted imidazoles / Morpholines / Heteroaromatic compounds / Trialkylamines / Propargyl-type 1,3-dipolar organic compounds / Oxacyclic compounds / Organic oxoazanium compounds / Dialkyl ethers / Azacyclic compounds
show 3 more
Substituents
Allyl-type 1,3-dipolar organic compound / Amine / Aromatic heteromonocyclic compound / Azacycle / C-nitro compound / Dialkyl ether / Ether / Heteroaromatic compound / Hydrocarbon derivative / Morpholine
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
469ULX0H4G
CAS number
6506-37-2
InChI Key
MDJFHRLTPRPZLY-UHFFFAOYSA-N
InChI
InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2
IUPAC Name
4-[2-(5-nitro-1H-imidazol-1-yl)ethyl]morpholine
SMILES
O=N(=O)C1=CN=CN1CCN1CCOCC1

References

General References
Not Available
PubChem Compound
23009
PubChem Substance
347828460
ChemSpider
21533
RxNav
7427
ChEBI
134929
ChEMBL
CHEMBL435966
ZINC
ZINC000026167988
Wikipedia
Nimorazole

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentLocally Advanced Head and Neck HPV Negative Squamous Cell Cancers1
3CompletedTreatmentSquamous Cell Carcinoma of the Head and Neck (SCCHN)1
3RecruitingOtherGene Profile, Gene Signature / Hypoxia / Hypoxic Modification / Radiotherapy / Squamous Cell Carcinoma of the Head and Neck (SCCHN)1
Not AvailableRecruitingTreatmentCarcinoma / DNA Virus Infections / Neoplasms by Histologic Type / Neoplasms by Site / Neoplasms, Glandular and Epithelial / Neoplasms, Head and Neck / Neoplasms, Oropharyngeal / Neoplasms, Squamous Cell / Oropharynx Cancers / Oropharynx Squamous Cell Carcinoma / Otorhinolaryngologic Diseases / Otorhinolaryngologic Neoplasms / Papillomavirus Infections / Pharyngeal Diseases / Pharyngeal neoplasms malignant and unspecified / Quality of Life (QOL) / Squamous Cell Carcinoma (SCC) / Tumor Virus Infections / Virus Diseases1

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 Solubility9.58 mg/mLALOGPS
logP-0.43ALOGPS
logP-0.092ChemAxon
logS-1.4ALOGPS
pKa (Strongest Basic)5.99ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area76.11 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity57.58 m3·mol-1ChemAxon
Polarizability22 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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

Drug created at October 20, 2016 21:32 / Updated at February 21, 2021 18:53