NAV

Nimorazole

This drug entry is astuband 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/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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 byClassyfire
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
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Substituents
Allyl-type 1,3-dipolar organic compound/Amine/Aromatic heteromonocyclic compound/Azacycle/C-nitro compound/Dialkyl ether/Ether/Heteroaromatic compound/碳氢化合物的衍生物/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 = 1 s / 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 TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
3 Active Not Recruiting Treatment Locally Advanced Head and Neck HPV Negative Squamous Cell Cancers 1
3 Completed Treatment Squamous Cell Carcinoma of the Head and Neck (SCCHN) 1
3 Recruiting Other Gene Profile, Gene Signature/Hypoxia/Hypoxic Modification/Radiotherapy/Squamous Cell Carcinoma of the Head and Neck (SCCHN) 1
Not Available Recruiting Treatment Carcinoma/DNA Virus Infections/Neoplasms by Histologic Type/Neoplasms by Site/Neoplasms, Glandular and Epithelial/Neoplasms, Head and Neck/Neoplasms, Oropharyngeal/Neoplasms, Squamous Cell/Oropharyngeal Squamous Cell Carcinoma (OPSCCA)/Oropharynx Cancers/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 Diseases 1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
价格
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
Property Value Source
Water Solubility 9.58 mg/mL ALOGPS
logP -0.43 ALOGPS
logP -0.092 Chemaxon
logS -1.4 ALOGPS
pKa (Strongest Basic) 5.99 Chemaxon
Physiological Charge 0 Chemaxon
Hydrogen Acceptor Count 5 Chemaxon
Hydrogen Donor Count 0 Chemaxon
Polar Surface Area 76.11 Å2 Chemaxon
Rotatable Bond Count 4 Chemaxon
Refractivity 57.58 m3·mol-1 Chemaxon
Polarizability 22 Å3 Chemaxon
Number of Rings 2 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 Not Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available

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