Nimorazole

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

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MOLSDF3D-SDFPDBSMILESInChI

Similar Structures

Structure for Nimorazole (DB12172)

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Weight

Average: 226.236
Monoisotopic: 226.106590327

Chemical Formula

C₉H₁₄N₄O₃

Synonyms

• Nimorazole

External IDs

• K-1900

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Pharmacology

Indication

Not Available

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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

• P01AB — Nitroimidazole derivatives
• P01A — AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
• P01 — ANTIPROTOZOALS
• P — ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS

Drug Categories

• Anti-Infective Agents
• Antiparasitic Agents
• Antiparasitic Products, Insecticides and Repellents
• Antiprotozoals
• Antitrichomonal Agents
• Imidazoles
• Nitro Compounds
• Nitroimidazole Derivatives
• Nitroimidazoles

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 / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives

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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 / Hydrocarbon derivative / Morpholine / N-substituted imidazole / Nitroaromatic compound / Nitroimidazole / Organic 1,3-dipolar compound / Organic nitro compound / Organic nitrogen compound / Organic oxide / Organic oxoazanium / Organic oxygen compound / Organonitrogen compound / Organooxygen compound / Organopnictogen compound / Oxacycle / Oxazinane / Propargyl-type 1,3-dipolar organic compound / Tertiary aliphatic amine / Tertiary amine

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

External Links

PubChem Compound

23009

PubChem Substance

347828460

ChemSpider

21533

RxNav

7427

ChEBI

134929

ChEMBL

CHEMBL435966

ZINC

ZINC000026167988

Wikipedia

Nimorazole

Clinical Trials

Clinical Trials

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 / Radiation Therapy / Squamous Cell Carcinoma of the Head and Neck (SCCHN)	1
Not Available	Recruiting	Treatment	Carcinoma / DNA Virus Infections / Ear, Nose, and Throat (ENT) Disease / Head and Neck Neoplasms / Neoplasms by Histologic Type / Neoplasms by Site / Neoplasms, Glandular and Epithelial / Neoplasms, Oropharyngeal / Neoplasms, Squamous Cell / Oropharyngeal Cancer / Oropharyngeal Squamous Cell Carcinoma / Otorhinolaryngologic Neoplasms / Papilloma Viral Infection / Pharyngeal Diseases / Pharyngeal neoplasms malignant and unspecified / Quality of Life (QOL) / Squamous Cell Carcinoma (SCC) / Tumor Virus Infections / Viral Disease	1

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	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 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]-	151.4004571	predicted	DarkChem Lite v0.1.0
[M-H]-	140.4822	predicted	DeepCCS 1.0 (2019)
[M+H]+	150.9011571	predicted	DarkChem Lite v0.1.0
[M+H]+	142.87776	predicted	DeepCCS 1.0 (2019)
[M+Na]+	151.8763571	predicted	DarkChem Lite v0.1.0
[M+Na]+	149.7584	predicted	DeepCCS 1.0 (2019)

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