Etanidazole

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Etanidazole
Accession Number
DB12736
Type
Small Molecule
Groups
Investigational
Description

Etanidazole has been used in trials studying the diagnostic of Adult Ependymoma, Malignant Ascites, Adult Gliosarcoma, Adult Mixed Glioma, and Adult Glioblastoma, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
NSC-301467 / SR 2508 / SR-2508
Categories
UNII
30DKA3Q1HL
CAS number
22668-01-5
Weight
Average: 214.181
Monoisotopic: 214.070204818
Chemical Formula
C7H10N4O4
InChI Key
WCDWBPCFGJXFJZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N4O4/c12-4-2-8-6(13)5-10-3-1-9-7(10)11(14)15/h1,3,12H,2,4-5H2,(H,8,13)
IUPAC Name
N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl)ethanimidic acid
SMILES
OCCN=C(O)CN1C=CN=C1N(=O)=O

Pharmacology

Indication
Not Available
Structured Indications
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Etanidazole.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Etanidazole.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Etanidazole.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Etanidazole.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Etanidazole.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Etanidazole.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Etanidazole.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Etanidazole.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Etanidazole.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Etanidazole.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Etanidazole.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Etanidazole.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Etanidazole.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Etanidazole.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Etanidazole.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Etanidazole.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Etanidazole.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Etanidazole.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Etanidazole.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Etanidazole.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
3276
PubChem Substance
347828928
ChemSpider
3161
ChEBI
75473
ChEMBL
CHEMBL47405

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
Not AvailableTerminatedDiagnosticAdult Anaplastic Astrocytoma / Adult Anaplastic Ependymoma / Adult Anaplastic Oligodendroglioma / Adult Diffuse Astrocytoma / Adult Ependymoma / Adult Giant Cell Glioblastoma / Adult Glioblastoma / Adult Gliosarcoma / Adult Mixed Glioma / Adult Myxopapillary Ependymoma / Adult Oligodendroglioma / Adult Pilocytic Astrocytoma / Adult Pineal Gland Astrocytoma / Adult Subependymoma1
Not AvailableTerminatedDiagnosticAdvanced Malignant Mesothelioma / Localized Malignant Mesothelioma / Malignant Ascites / Primary Peritoneal Cavity Cancer / Recurrent Malignant Mesothelioma1

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 Solubility4.63 mg/mLALOGPS
logP-0.83ALOGPS
logP-0.77ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)2.09ChemAxon
pKa (Strongest Basic)4.11ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area116.46 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity50.32 m3·mol-1ChemAxon
Polarizability19.2 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as n-acylethanolamines. These are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of ethanolamine.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Amines
Direct Parent
N-acylethanolamines
Alternative Parents
Nitroaromatic compounds / N-substituted imidazoles / Heteroaromatic compounds / Secondary carboxylic acid amides / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds / Azacyclic compounds / Primary alcohols / Organopnictogen compounds / Organic zwitterions
show 3 more
Substituents
Nitroaromatic compound / N-acylethanolamine / N-substituted imidazole / Azole / Imidazole / Heteroaromatic compound / Carboxamide group / C-nitro compound / Secondary carboxylic acid amide / Organic nitro compound
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
C-nitro compound, monocarboxylic acid amide, imidazoles (CHEBI:75473)

Drug created on October 20, 2016 17:56 / Updated on November 09, 2017 05:12