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

Identification

Generic Name
Quarfloxin
DrugBank Accession Number
DB06638
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 604.686
Monoisotopic: 604.25981711
Chemical Formula
C35H33FN6O3
Synonyms
  • Itarnafloxin
  • Itarnafloxina
  • Itarnafloxine
  • Itarnafloxinum
  • Quarfloxin
External IDs
  • CX 3543
  • CX-3543

Pharmacology

Indication

Investigated for use/treatment in leukemia (lymphoid).

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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
Not Available

Interactions

Drug Interactions
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzoxazines
Sub Class
Phenoxazines
Direct Parent
Phenoxazines
Alternative Parents
Quinoline-3-carboxamides / Fluoroquinolones / Aminoquinolines and derivatives / Haloquinolines / Hydroquinolones / Hydroquinolines / Naphthalenes / Pyridinecarboxylic acids and derivatives / Dialkylarylamines / Aralkylamines
show 14 more
Substituents
Amine / Amino acid or derivatives / Aminoquinoline / Aralkylamine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Carboxamide group
show 30 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
8M31J5031Q
CAS number
865311-47-3
InChI Key
WOQIDNWTQOYDLF-CGAIIQECSA-N
InChI
InChI=1S/C35H33FN6O3/c1-40-13-4-7-24(40)8-10-39-35(44)26-20-42-29-15-21-5-2-3-6-22(21)16-30(29)45-34-31(42)25(33(26)43)17-27(36)32(34)41-14-9-23(19-41)28-18-37-11-12-38-28/h2-3,5-6,11-12,15-18,20,23-24H,4,7-10,13-14,19H2,1H3,(H,39,44)/t23?,24-/m0/s1
IUPAC Name
15-fluoro-N-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-18-oxo-14-[3-(pyrazin-2-yl)pyrrolidin-1-yl]-12-oxa-1-azapentacyclo[11.7.1.0^{2,11}.0^{4,9}.0^{17,21}]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide
SMILES
CN1CCC[C@H]1CCNC(=O)C1=CN2C3=C(OC4=C2C(=CC(F)=C4N2CCC(C2)C2=CN=CC=N2)C1=O)C=C1C=CC=CC1=C3

References

General References
Not Available
ChemSpider
9810507
ChEMBL
CHEMBL3989407

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCarcinoid Tumors / Neuroendocrine Tumors1
2WithdrawnTreatmentB-Cell Chronic Lymphocytic Leukemia (B-CLL)1
1CompletedTreatmentMalignant Lymphomas / Solid Tumors, Advanced Solid Tumors1
1TerminatedTreatmentMalignant Lymphomas / Solid Tumors, Advanced Solid Tumors1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP3.48ChemAxon
pKa (Strongest Acidic)14.82ChemAxon
pKa (Strongest Basic)9.28ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area90.9 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity169.69 m3·mol-1ChemAxon
Polarizability66.2 Å3ChemAxon
Number of Rings8ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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

Drug created at March 19, 2008 16:42 / Updated at February 21, 2021 18:52