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tasisulam   Click here for help

GtoPdb Ligand ID: 14233

Synonyms: LY-573636 | LY573636
PDB Ligand
Compound class: Synthetic organic
Comment: Tasisulam (LY573636) is an acyl-sulfonamide class compound with anti-tumour activities [2]. It has more recently been reported to behave as a molecular glue degrader of the RBM39 spliceosome protein. This activity proceeds via a proteasome-dependent mechanism that relies on the presence of the cullin RING ligase substrate receptor DCAF15 [1].
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/). All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 96.92
Molecular weight 415.11
XLogP 1.83
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Canonical SMILES C1=C(C=C(C(=C1)C(=O)NS(=O)(=O)C2=CC=C(Br)S2)Cl)Cl
Isomeric SMILES O=C(NS(=O)(C1=CC=C(Br)S1)=O)C2=CC=C(Cl)C=C2Cl
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)
InChI Key WWONFUQGBVOKOF-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide
International Nonproprietary Names Click here for help
INN number INN
9030 tasisulam
Synonyms Click here for help
LY-573636 | LY573636
Database Links Click here for help
CAS Registry No. 519055-62-0 (source: WHO INN record)
ChEBI CHEBI:231621
ChEMBL Ligand CHEMBL2110587
DrugBank Ligand DB11941
PubChem CID 10160238
RCSB PDB Ligand P7M
Search Google for chemical match using the InChIKey WWONFUQGBVOKOF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WWONFUQGBVOKOF
Search PubMed clinical trials tasisulam
Search PubMed titles tasisulam
Search PubMed titles/abstracts tasisulam
UniChem Compound Search for chemical match using the InChIKey WWONFUQGBVOKOF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey WWONFUQGBVOKOF-UHFFFAOYSA-N