Tasisulam
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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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- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Tasisulam Sodium O3955SHR9J 519055-63-1 JCOHXVDKRMWUQP-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
- External Links
- PubChem Compound
- 10160238
- PubChem Substance
- 347828268
- ChemSpider
- 8335746
- ChEMBL
- CHEMBL2110587
- ZINC
- ZINC000003816311
- PDBe Ligand
- P7M
- PDB Entries
- 6q0v
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Terminated Treatment Melanoma 1 2 Completed Treatment Breast Cancer 1 2 Completed Treatment Fallopian Tube Cancer / Ovarian Cancer / Primary Peritoneal Cancer 1 2 Completed Treatment Metastatic Melanoma 1 2 Completed Treatment Non-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
Property Value Source Water Solubility 0.00269 mg/mL ALOGPS logP 3.47 ALOGPS logP 4.51 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 4.03 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 63.24 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 81.11 m3·mol-1 Chemaxon Polarizability 33.94 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-00di-0940000000-327fddd0fc4bd68de0a1 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0000900000-9ace6ed685cbbf68c7d5 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0000900000-52e32bacd395b60735eb Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03k9-0330900000-03d5856897f44b1d2b70 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9301200000-09e86d50ce4476342219 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00dr-0920000000-8d1a9afe9a7e283d80cb Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9000000000-0df107ab15d301c53865 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 167.50244 predictedDeepCCS 1.0 (2019) [M+H]+ 169.86044 predictedDeepCCS 1.0 (2019) [M+Na]+ 176.80086 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:02 / Updated at February 21, 2021 18:53