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

Identification
NameApaziquone
Accession NumberDB12593
TypeSmall Molecule
GroupsInvestigational
Description

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

Structure
Thumb
Synonyms
EOQUIN
External IDs NOR-701
Product Ingredients Not Available
ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNIIH464ZO600O
CAS number114560-48-4
WeightAverage: 288.303
Monoisotopic: 288.111007003
Chemical FormulaC15H16N2O4
InChI KeyMXPOCMVWFLDDLZ-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
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Apaziquone.Approved
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
DeslanosideDeslanoside may decrease the cardiotoxic activities of Apaziquone.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Apaziquone.Approved
DigoxinDigoxin 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
OleandrinAnvirzel may decrease the cardiotoxic activities of Apaziquone.Experimental
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
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Apaziquone.Approved, Investigational
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
Clinical Trials
Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableBladder Cancers1
2CompletedTreatmentNeoplasm, Bladder1
2, 3TerminatedTreatmentBladder Cancers1
3Active Not RecruitingTreatmentBladder Cancers2
3CompletedTreatmentBladder Cancers2
3TerminatedTreatmentBladder Cancers1
Properties
StateNot Available
Experimental PropertiesNot 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 featuresNot Available
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Taxonomy
DescriptionThis 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.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassNot Available
Direct ParentIndoles and derivatives
Alternative ParentsAryl ketones / N-methylpyrroles / Vinylogous amides / N-vinylaziridines / Heteroaromatic compounds / Trialkylamines / Enamines / Azacyclic compounds / Primary alcohols / Organopnictogen compounds
SubstituentsIndole or derivatives / Aryl ketone / N-methylpyrrole / Substituted pyrrole / Pyrrole / Heteroaromatic compound / Vinylogous amide / N-vinylaziridine / Vinylaziridine / Ketone
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Drug created on October 20, 2016 17:05 / Updated on September 01, 2017 12:22