Nimorazole
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Nimorazole
- Accession Number
- DB12172
- Description
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
- Weight
- Average: 226.236
Monoisotopic: 226.106590327 - Chemical Formula
- C9H14N4O3
- Synonyms
- Nimorazole
- External IDs
- K-1900
Pharmacology
- Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset
- Indication
- Not Available
- Contraindications & Blackbox Warnings
- Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects
- 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
- Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data
- 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.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
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
- 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 Head and Neck Squamous Cell Carcinoma (HNSCC) 1 3 Unknown Status Not Available Gene Profile, Gene Signature / Head and Neck Squamous Cell Carcinoma (HNSCC) / Hypoxia / Hypoxic Modification / Radiotherapy 1 Not Available Recruiting Treatment Carcinoma NOS / 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 / Squamous Cell Carcinoma (SCC) / Tumor Virus Infections / Virus Diseases 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 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 on October 20, 2016 21:32 / Updated on February 21, 2021 18:53