NAV

Apaziquone

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

Identification

Generic Name
Apaziquone
DrugBank Accession Number
DB12593
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 288.303
Monoisotopic: 288.111007003
Chemical Formula
C15H16N2O4
Synonyms
  • Apaziquone
  • EOQUIN
External IDs
  • NOR-701
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Apaziquone is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Apaziquone is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Apaziquone is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Apaziquone is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Apaziquone is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Alcohol / Amine / Aromatic alcohol / Aromatic heteropolycyclic compound / Aryl ketone / Azacycle / Aziridine / Enamine / Heteroaromatic compound / Hydrocarbon derivative
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
H464ZO600O
CAS number
114560-48-4
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

References

General References
Not Available
PubChem Compound
5813717
PubChem Substance
347828812
ChemSpider
4710342
ChEMBL
CHEMBL73822
ZINC
ZINC000001536777
Wikipedia
Apaziquone

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentBladder Cancer2
3TerminatedTreatmentBladder Cancer3
2CompletedTreatmentBladder Neoplasm1
2, 3TerminatedTreatmentBladder Cancer1
1CompletedNot AvailableBladder Cancer1

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/MSsplash10-0079-0090000000-84e11364fd1088b7054a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-b10d920b096d134d733d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-8d5907c635d6f663877b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-a49a671709b996abfd15
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uki-0290000000-0ca1555126b3b7ac9c63
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004r-0290000000-24043d203b88cb824f67
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-166.90312
predicted
DeepCCS 1.0 (2019)
[M+H]+169.26112
predicted
DeepCCS 1.0 (2019)
[M+Na]+175.35426
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:05 / Updated at February 21, 2021 18:53