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

Similar Structures

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
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Toxicity: Not Available
Pathways: Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">: Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" 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

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 Learn More" title="About Clinical Trials" 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 / 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)

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

Nimorazole

Identification

Structure for Nimorazole (DB12172)

Pharmacology

Interactions

Categories

Chemical Identifiers

References

Clinical Trials

Pharmacoeconomics

Properties

Spectra

Collision Cross Sections (CCS)