This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Pimonidazole
- DrugBank Accession Number
- DB12485
- Background
Pimonidazole is under investigation for the diagnostic of Prostate Cancer and Head and Neck Cancer.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Pimonidazole (DB12485)
- Weight
- Average: 254.29
Monoisotopic: 254.137890456 - Chemical Formula
- C11H18N4O3
- Synonyms
- Pimonidazole
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
- Kingdom
- Organic compounds
- Super Class
- Organic 1,3-dipolar compounds
- Class
- Allyl-type 1,3-dipolar organic compounds
- Sub Class
- Organic nitro compounds
- Direct Parent
- Nitroaromatic compounds
- Alternative Parents
- Piperidines / N-substituted imidazoles / Heteroaromatic compounds / Trialkylamines / Secondary alcohols / 1,2-aminoalcohols / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds / Azacyclic compounds / Organopnictogen compounds show 3 more
- Substituents
- 1,2-aminoalcohol / Alcohol / Amine / Aromatic heteromonocyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative / Imidazole / N-substituted imidazole show 15 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 46JO4D76R2
- CAS number
- 70132-50-2
- InChI Key
- WVWOOAYQYLJEFD-UHFFFAOYSA-N
- InChI
- InChI=1S/C11H18N4O3/c16-10(8-13-5-2-1-3-6-13)9-14-7-4-12-11(14)15(17)18/h4,7,10,16H,1-3,5-6,8-9H2
- IUPAC Name
- 1-(2-nitro-1H-imidazol-1-yl)-3-(piperidin-1-yl)propan-2-ol
- SMILES
- OC(CN1C=CN=C1[N+]([O-])=O)CN1CCCCC1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 50981
- PubChem Substance
- 347828723
- ChemSpider
- 46214
- ChEMBL
- CHEMBL58752
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Prostate Cancer 1 2 Recruiting Diagnostic Head and Neck Carcinoma 1 2 Withdrawn Diagnostic Cancer of the Skin / Melanoma 1 1 Not Yet Recruiting Diagnostic Cancer of the Tongue 1 1, 2 Recruiting Diagnostic Tongue Cancers 1 0 Withdrawn Diagnostic Malignant Neoplasm of Pancreas / Resectable Pancreatic Cancers 1 Not Available Active Not Recruiting Other Prostate Cancer 1 Not Available Completed Not Available Kidney Diseases 1 Not Available Recruiting Not Available Melanoma 1 Not Available Recruiting Diagnostic Sarcomas 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 4.92 mg/mL ALOGPS logP 0.58 ALOGPS logP 0.94 ChemAxon logS -1.7 ALOGPS pKa (Strongest Acidic) 14.39 ChemAxon pKa (Strongest Basic) 8.76 ChemAxon Physiological Charge 1 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 84.43 Å2 ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 65.83 m3·mol-1 ChemAxon Polarizability 25.32 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 GC-MS Spectrum - GC-MS Predicted GC-MS Not Available 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 22:34 / Updated at February 21, 2021 18:53