Apaziquone

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

Identification

Name
Apaziquone
Accession Number
DB12593
Type
Small Molecule
Groups
Investigational
Description

Apaziquone has been investigated for the treatment of Bladder Cancer and Bladder Neoplasms.

Structure
Thumb
Synonyms
  • EOQUIN
External IDs
NOR-701
Categories
UNII
H464ZO600O
CAS number
114560-48-4
Weight
Average: 288.303
Monoisotopic: 288.111007003
Chemical Formula
C15H16N2O4
InChI Key
MXPOCMVWFLDDLZ-NSCUHMNNSA-N
InChI
InChI=1S/C15H16N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h2-3,7,18-19H,4-6,8H2,1H3/b3-2+
IUPAC Name
5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(1E)-3-hydroxyprop-1-en-1-yl]-1-methyl-4,7-dihydro-1H-indole-4,7-dione
SMILES
CN1C(\C=C\CO)=C(CO)C2=C1C(=O)C=C(N1CC1)C2=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 Apaziquone.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Apaziquone.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Apaziquone.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Apaziquone.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Apaziquone.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Apaziquone.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Apaziquone.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Apaziquone.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Apaziquone.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Apaziquone.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Apaziquone.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Apaziquone.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Apaziquone.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Apaziquone.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Apaziquone.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Apaziquone.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Apaziquone.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Apaziquone.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Apaziquone.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Apaziquone.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
5813717
PubChem Substance
347828812
ChemSpider
4710342
ChEMBL
CHEMBL73822

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableBladder Cancers1
2CompletedTreatmentNeoplasm, Bladder1
2, 3TerminatedTreatmentBladder Cancers1
3Active Not RecruitingTreatmentBladder Cancers1
3CompletedTreatmentBladder Cancers2
3TerminatedTreatmentBladder Cancers1
3Unknown StatusTreatmentBladder Cancers1

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 Solubility4.8 mg/mLALOGPS
logP0.6ALOGPS
logP-0.8ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)13.48ChemAxon
pKa (Strongest Basic)-2.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area82.54 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity81.27 m3·mol-1ChemAxon
Polarizability30.28 Å3ChemAxon
Number of Rings3ChemAxon
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 indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Not Available
Direct Parent
Indoles and derivatives
Alternative Parents
Aryl ketones / N-methylpyrroles / Vinylogous amides / N-vinylaziridines / Heteroaromatic compounds / Trialkylamines / Enamines / Azacyclic compounds / Primary alcohols / Organopnictogen compounds
show 3 more
Substituents
Indole or derivatives / Aryl ketone / N-methylpyrrole / Substituted pyrrole / Pyrrole / Heteroaromatic compound / Vinylogous amide / N-vinylaziridine / Vinylaziridine / Ketone
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:05 / Updated on November 09, 2017 05:10