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
Thumb
Weight
Average: 254.29
Monoisotopic: 254.137890456
Chemical Formula
C11H18N4O3
Synonyms
  • Pimonidazole

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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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
Adverseeffects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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Improve decision support & research outcomes with our structured adverse effects data.
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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

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
PubChem Compound
50981
PubChem Substance
347828723
ChemSpider
46214
ChEMBL
CHEMBL58752

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentProstate Cancer1
2RecruitingDiagnosticHead and Neck Carcinoma1
2WithdrawnDiagnosticCancer of the Skin / Malignant Melanoma of Skin1
1Not Yet RecruitingDiagnosticCancer of the Tongue1
1, 2RecruitingDiagnosticTongue Cancers1
0WithdrawnDiagnosticMalignant Neoplasm of Pancreas / Resectable Pancreatic Cancers1
Not AvailableActive Not RecruitingOtherProstate Cancer1
Not AvailableCompletedNot AvailableKidney Diseases1

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
PropertyValueSource
Water Solubility4.92 mg/mLALOGPS
logP0.58ALOGPS
logP0.94ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)14.39ChemAxon
pKa (Strongest Basic)8.76ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area84.43 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity65.83 m3·mol-1ChemAxon
Polarizability25.32 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at October 20, 2016 22:34 / Updated at February 21, 2021 18:53