Tasisulam

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

Identification

Generic Name
Tasisulam
DrugBank Accession Number
DB11941
Background

Tasisulam has been used in trials studying the treatment and basic science of Melanoma, Lymphoma, Solid Tumors, Breast Cancer, and Ovarian Cancer, among others.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 415.1
Monoisotopic: 412.834954
Chemical Formula
C11H6BrCl2NO3S2
Synonyms
  • LY573636
  • Tasisulam
External IDs
  • LY-573636

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
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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Tasisulam SodiumO3955SHR9J519055-63-1JCOHXVDKRMWUQP-UHFFFAOYSA-M

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives / Benzoyl derivatives / Dichlorobenzenes / 2,5-disubstituted thiophenes / Aryl bromides / Aryl chlorides / Vinylogous halides / Organosulfonic acids and derivatives / Aminosulfonyl compounds / Heteroaromatic compounds
show 7 more
Substituents
1,3-dichlorobenzene / 2,5-disubstituted thiophene / 2-halobenzoic acid or derivatives / 4-halobenzoic acid or derivatives / Aminosulfonyl compound / Aromatic heteromonocyclic compound / Aryl bromide / Aryl chloride / Aryl halide / Benzoyl
show 20 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
1YC4W9MSLJ
CAS number
519055-62-0
InChI Key
WWONFUQGBVOKOF-UHFFFAOYSA-N
InChI
InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)
IUPAC Name
N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide
SMILES
ClC1=CC(Cl)=C(C=C1)C(=O)NS(=O)(=O)C1=CC=C(Br)S1

References

General References
Not Available
PubChem Compound
10160238
PubChem Substance
347828268
ChemSpider
8335746
ChEMBL
CHEMBL2110587
ZINC
ZINC000003816311
PDBe Ligand
P7M
PDB Entries
6q0v

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentMelanoma1
2CompletedTreatmentBreast Cancer1
2CompletedTreatmentFallopian Tube Cancer / Ovarian Cancer / Primary Peritoneal Cancer1
2CompletedTreatmentMetastatic Melanoma1
2CompletedTreatmentNon-Small Cell Lung Cancer (NSCLC)1

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 Solubility0.00269 mg/mLALOGPS
logP3.47ALOGPS
logP4.51Chemaxon
logS-5.2ALOGPS
pKa (Strongest Acidic)4.03Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area63.24 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity81.11 m3·mol-1Chemaxon
Polarizability33.94 Å3Chemaxon
Number of Rings2Chemaxon
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-MSsplash10-00di-0940000000-327fddd0fc4bd68de0a1
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0000900000-9ace6ed685cbbf68c7d5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0000900000-52e32bacd395b60735eb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03k9-0330900000-03d5856897f44b1d2b70
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9301200000-09e86d50ce4476342219
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dr-0920000000-8d1a9afe9a7e283d80cb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-0df107ab15d301c53865
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]-167.50244
predicted
DeepCCS 1.0 (2019)
[M+H]+169.86044
predicted
DeepCCS 1.0 (2019)
[M+Na]+176.80086
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:02 / Updated at February 21, 2021 18:53