Didox

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

Identification

Name
Didox
Accession Number
DB12948
Type
Small Molecule
Groups
Investigational
Description

Didox has been used in trials studying the supportive care of Gastric Cancer.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
L106XFV0RQ
CAS number
69839-83-4
Weight
Average: 169.136
Monoisotopic: 169.037507709
Chemical Formula
C7H7NO4
InChI Key
QJMCKEPOKRERLN-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO4/c9-5-2-1-4(3-6(5)10)7(11)8-12/h1-3,9-10,12H,(H,8,11)
IUPAC Name
N,3,4-trihydroxybenzamide
SMILES
ONC(=O)C1=CC(O)=C(O)C=C1

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

References

General References
Not Available
External Links
PubChem Compound
3045
PubChem Substance
347829091
ChemSpider
2937
ChEMBL
CHEMBL367788

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedSupportive CareMalignant Neoplasm of Stomach1

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 Solubility5.54 mg/mLALOGPS
logP0.06ALOGPS
logP0.21ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)8.32ChemAxon
pKa (Strongest Basic)-5.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area89.79 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity40.86 m3·mol-1ChemAxon
Polarizability15.22 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 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

Taxonomy

Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Catechols / Benzoyl derivatives / 1-hydroxy-4-unsubstituted benzenoids / 1-hydroxy-2-unsubstituted benzenoids / Hydroxamic acids / Polyols / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Benzoic acid or derivatives / Benzoyl / Catechol / 1-hydroxy-4-unsubstituted benzenoid / 1-hydroxy-2-unsubstituted benzenoid / Phenol / Hydroxamic acid / Polyol / Carboxylic acid derivative / Hydrocarbon derivative
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:32 / Updated on November 09, 2017 05:15