Detailed information for compound 256193

Basic information

Technical information
  • TDR Targets ID: 256193
  • Name: 3-sulfanylideneisoindol-1-one
  • MW: 163.196 | Formula: C8H5NOS
  • H donors: 1 H acceptors: 1 LogP: 1.32 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C1NC(=O)c2c1cccc2
  • InChi: 1S/C8H5NOS/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
  • InChiKey: PFEFOHMLVFUELJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-thioxoisoindolin-1-one
  • 3-thioxo-1-isoindolinone
  • 18138-18-6
  • THIOPHTHALIMIDE

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
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0049 0.2388 0.5
Plasmodium falciparum glutathione reductase 0.0143 1 1
Brugia malayi Thioredoxin reductase 0.0143 1 1
Loa Loa (eye worm) thioredoxin reductase 0.0143 1 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0049 0.2388 0.5
Toxoplasma gondii thioredoxin reductase 0.0143 1 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0049 0.2388 0.5
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0049 0.2388 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0049 0.2388 0.1234
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0143 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0143 1 1
Trypanosoma brucei trypanothione reductase 0.0143 1 1
Loa Loa (eye worm) glutathione reductase 0.0143 1 1
Plasmodium falciparum thioredoxin reductase 0.0143 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0143 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0049 0.2388 0.5
Leishmania major trypanothione reductase 0.0143 1 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0049 0.2388 0.5
Treponema pallidum NADH oxidase 0.0049 0.2388 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0143 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0143 1 1
Trichomonas vaginalis mercuric reductase, putative 0.0049 0.2388 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0049 0.2388 0.5
Plasmodium vivax glutathione reductase, putative 0.0143 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0049 0.2388 0.5
Trichomonas vaginalis glutathione reductase, putative 0.0049 0.2388 0.5

Activities

Activity type Activity value Assay description Source Reference
Cell viability (functional) = 94 Compound was tested for the cell viability in human peripheral blood mononuclear cells (PBMC) at 3.0 microM ChEMBL. 14613324
Cell viability (functional) = 94 Compound was tested for the cell viability in human peripheral blood mononuclear cells (PBMC) at 0.3 microM ChEMBL. 14613324
Cell viability (functional) > 100 Compound was tested for the cell viability in in human peripheral blood mononuclear cells (PBMC) at 30 microM ChEMBL. 14613324
IC50 (functional) > 30 uM Compound was tested for the inhibition of LPS-Induced TNF-alpha production in human peripheral blood mononuclear cells (PBMC) ChEMBL. 14613324
Inhibition (functional) = 34 % Compound was tested for the inhibition of LPS-Induced TNF-alpha production in human peripheral blood mononuclear cells (PBMC) at 30 microM ChEMBL. 14613324

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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