Detailed information for compound 953699

Basic information

Technical information
  • TDR Targets ID: 953699
  • Name: 2-(2-hydroxyethyl)-1,1-dioxo-1,2-benzothiazol -3-one
  • MW: 227.237 | Formula: C9H9NO4S
  • H donors: 1 H acceptors: 4 LogP: -0.1 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN1C(=O)c2c(S1(=O)=O)cccc2
  • InChi: 1S/C9H9NO4S/c11-6-5-10-9(12)7-3-1-2-4-8(7)15(10,13)14/h1-4,11H,5-6H2
  • InChiKey: CJWAPCSQEWUZAE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-hydroxyethyl)-1,1-diketo-1,2-benzothiazol-3-one
  • 6343-81-3
  • 2-(2-Hydroxy-ethyl)-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one
  • BAS 01366981
  • ZINC00241089
  • Oprea1_602634
  • 2-(2-Hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
  • EINECS 228-743-8
  • Oprea1_142670
  • NSC49755

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0002 0.0005
Loa Loa (eye worm) TAR-binding protein 0.0062 0.3096 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0002 0.5
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0002 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3096 0.3096
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2218 0.7163
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0002 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0002 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0002 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0002 0.0002
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2218 0.7163
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0167 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0002 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2218 0.7163
Echinococcus multilocularis geminin 0.0167 1 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.3096 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0002 0.0005
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0002 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1191 0.3848
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0002 0.0002
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3096 0.3096
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3096 0.3096
Brugia malayi isocitrate dehydrogenase 0.0016 0.0002 0.0005
Schistosoma mansoni hypothetical protein 0.0167 1 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.3096 0.3096
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.3096 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.3096 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3096 0.3096
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0002 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.1191 0.1191
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0002 0.0002
Brugia malayi TAR-binding protein 0.0062 0.3096 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1191 0.3848
Brugia malayi RNA binding protein 0.0062 0.3096 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0002 0.0002
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0002 0.0002
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0002 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.2218 0.7163
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0002 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3096 0.3096
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0002 0.0002
Echinococcus granulosus tar DNA binding protein 0.0062 0.3096 0.3096

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) <= 54 % Inhibition of Amyloid beta (1 to 42) (unknown origin) oligomer assembly at Abeta:compound ratio of 0.0002 after 30 mins by single-site ELISA assay ChEMBL. 25537270

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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