NAV

Chlorsulfaquinoxaline

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

Identification

Generic Name
Chlorsulfaquinoxaline
DrugBank Accession Number
DB12921
Background

Chlorsulfaquinoxaline has been used in trials studying the treatment of Lung Cancer and Colorectal Cancer.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 334.78
Monoisotopic: 334.0291245
Chemical Formula
C14H11ClN4O2S
Synonyms
  • Chloroquinoxaline sulfonamide
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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.
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AcarboseThe therapeutic efficacy of Acarbose can be increased when used in combination with Chlorsulfaquinoxaline.
AcetohexamideThe therapeutic efficacy of Acetohexamide can be increased when used in combination with Chlorsulfaquinoxaline.
AlbiglutideThe therapeutic efficacy of Albiglutide can be increased when used in combination with Chlorsulfaquinoxaline.
AlogliptinThe therapeutic efficacy of Alogliptin can be increased when used in combination with Chlorsulfaquinoxaline.
BenzylpenicillinChlorsulfaquinoxaline may decrease the excretion rate of Benzylpenicillin which could result in a higher serum level.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzenesulfonamides
Direct Parent
Aminobenzenesulfonamides
Alternative Parents
Quinoxalines / Benzenesulfonyl compounds / Aniline and substituted anilines / Pyrazines / Organosulfonamides / Imidolactams / Aryl chlorides / Heteroaromatic compounds / Aminosulfonyl compounds / Azacyclic compounds
show 5 more
Substituents
Amine / Aminobenzenesulfonamide / Aminosulfonyl compound / Aniline or substituted anilines / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenesulfonyl group / Diazanaphthalene
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
O0408QB48D
CAS number
97919-22-7
InChI Key
CTSNHMQGVWXIEG-UHFFFAOYSA-N
InChI
InChI=1S/C14H11ClN4O2S/c15-11-2-1-3-12-14(11)17-8-13(18-12)19-22(20,21)10-6-4-9(16)5-7-10/h1-8H,16H2,(H,18,19)
IUPAC Name
4-amino-N-(5-chloroquinoxalin-2-yl)benzene-1-sulfonamide
SMILES
NC1=CC=C(C=C1)S(=O)(=O)NC1=NC2=CC=CC(Cl)=C2N=C1

References

General References
Not Available
PubChem Compound
72462
PubChem Substance
347829067
ChemSpider
65384
BindingDB
97028
ChEMBL
CHEMBL1905073
ZINC
ZINC000001578344

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentColorectal Cancer1
2CompletedTreatmentLung 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 Solubility0.0166 mg/mLALOGPS
logP2.11ALOGPS
logP2.16Chemaxon
logS-4.3ALOGPS
pKa (Strongest Acidic)6.64Chemaxon
pKa (Strongest Basic)2.12Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area97.97 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity84.1 m3·mol-1Chemaxon
Polarizability31.75 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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-MSsplash10-0pc3-5911000000-271d035dfee208751bb7
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0209000000-44b274871220ff801f92
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9005000000-523190f772f02d813307
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052r-0609000000-d930e77bf5691204221f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9001000000-f240480f62bb8a802719
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-5910000000-564df5ce208a1db350f2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-1ab32516dbd08c0ceb1d
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]-169.10988
predicted
DeepCCS 1.0 (2019)
[M+H]+171.46785
predicted
DeepCCS 1.0 (2019)
[M+Na]+178.50516
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:17 / Updated at June 12, 2020 16:53