Detailed information for compound 808495

Basic information

Technical information
  • TDR Targets ID: 808495
  • Name: (3Z)-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin -5-ylidene)-1H-indol-2-one
  • MW: 262.308 | Formula: C11H6N2O2S2
  • H donors: 2 H acceptors: 2 LogP: 1.5 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C1NC(=O)/C(=C\2/C(=O)Nc3c2cccc3)/S1
  • InChi: 1S/C11H6N2O2S2/c14-9-7(8-10(15)13-11(16)17-8)5-3-1-2-4-6(5)12-9/h1-4H,(H,12,14)(H,13,15,16)/b8-7-
  • InChiKey: XPEAIZNYDZKSOI-FPLPWBNLSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3Z)-3-(4-oxo-2-thioxo-thiazolidin-5-ylidene)indolin-2-one
  • (3Z)-3-(4-oxo-2-thioxo-5-thiazolidinylidene)-2-indolinone
  • (3Z)-3-(4-keto-2-thioxo-thiazolidin-5-ylidene)oxindole
  • ST025548
  • BIM-0014560.P001
  • ZINC01083223
  • SDCCGMLS-0064777.P001
  • 3-(4-Oxo-2-thioxo-thiazolidin-5-ylidene)-1,3-dihydro-indol-2-one
  • BAS 00681525

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
Schistosoma mansoni serine/threonine kinase 0.0468517 0.0346086 0.0346086
Loa Loa (eye worm) carbonic anhydrase 3 0.0768702 0.167724 0.214821
Echinococcus multilocularis RNA directed DNA polymerase 0.181988 0.633867 0.633867
Schistosoma mansoni serine/threonine protein kinase 0.264554 1 1
Echinococcus multilocularis serine threonine protein kinase 0.231428 0.853104 0.853104
Trichomonas vaginalis AGC family protein kinase 0.0468517 0.0346086 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0768702 0.167724 0.210519
Echinococcus granulosus carbonic anhydrase II 0.0768702 0.167724 0.167724
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0468517 0.0346086 0.0443267
Echinococcus multilocularis carbonic anhydrase II 0.0768702 0.167724 0.167724
Trichomonas vaginalis AGC family protein kinase 0.0468517 0.0346086 1
Onchocerca volvulus 0.0955342 0.250489 0.5
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0468517 0.0346086 0.0346086
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0468517 0.0346086 0.0346086
Schistosoma mansoni serine/threonine protein kinase 0.0468517 0.0346086 0.0346086
Echinococcus multilocularis protein kinase c iota type 0.0799777 0.181505 0.181505
Trypanosoma brucei carbonic anhydrase-like protein 0.0768702 0.167724 1
Echinococcus granulosus Protein kinase C brain isozyme 0.264554 1 1
Trichomonas vaginalis AGC family protein kinase 0.0468517 0.0346086 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0768702 0.167724 0.5
Trichomonas vaginalis AGC family protein kinase 0.0468517 0.0346086 1
Loa Loa (eye worm) hypothetical protein 0.0955342 0.250489 0.320826
Loa Loa (eye worm) AGC/AKT protein kinase 0.0468517 0.0346086 0.0443267
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0768702 0.167724 0.210519
Echinococcus granulosus RNA directed DNA polymerase 0.181988 0.633867 0.633867
Trichomonas vaginalis AGC family protein kinase 0.0468517 0.0346086 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0468517 0.0346086 0.0434389
Entamoeba histolytica protein kinase, putative 0.0468517 0.0346086 0.5
Schistosoma mansoni atypical protein kinase C 0.0799777 0.181505 0.181505
Brugia malayi Protein kinase c protein 2 0.218713 0.79672 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0468517 0.0346086 0.0346086
Echinococcus granulosus NDR protein kinase 0.0468517 0.0346086 0.0346086
Echinococcus granulosus protein kinase c epsilon type 0.0825654 0.19298 0.19298
Echinococcus multilocularis Protein kinase C, brain isozyme 0.264554 1 1
Echinococcus granulosus protein kinase c iota type 0.0799777 0.181505 0.181505
Loa Loa (eye worm) hypothetical protein 0.181988 0.633867 0.811856
Loa Loa (eye worm) hypothetical protein 0.0955342 0.250489 0.320826
Echinococcus multilocularis serine:threonine protein kinase N2 0.0468517 0.0346086 0.0346086
Entamoeba histolytica protein kinase, putative 0.0468517 0.0346086 0.5
Brugia malayi Protein kinase domain containing protein 0.0468517 0.0346086 0.0434389
Loa Loa (eye worm) hypothetical protein 0.0955342 0.250489 0.320826
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0468517 0.0346086 0.0346086
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0468517 0.0346086 0.0443267
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.185587 0.649824 0.832293
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0468517 0.0346086 0.0443267
Loa Loa (eye worm) AGC/PKN protein kinase 0.0468517 0.0346086 0.0443267
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0825654 0.19298 0.247168
Toxoplasma gondii AGC kinase 0.0468517 0.0346086 1
Brugia malayi protein kinase C II. 0.0825654 0.19298 0.242218
Schistosoma mansoni serine/threonine protein kinase 0.0825654 0.19298 0.19298
Schistosoma mansoni serine/threonine protein kinase 0.0468517 0.0346086 0.0346086
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0768702 0.167724 0.167724
Plasmodium falciparum carbonic anhydrase 0.0390472 0 0.5
Loa Loa (eye worm) hypothetical protein 0.215115 0.780763 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0468517 0.0346086 0.0443267
Trichomonas vaginalis AGC family protein kinase 0.0468517 0.0346086 1
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0468517 0.0346086 0.0346086
Loa Loa (eye worm) hypothetical protein 0.12866 0.397385 0.50897
Loa Loa (eye worm) AGC/NDR protein kinase 0.0468517 0.0346086 0.0443267
Schistosoma mansoni serine/threonine protein kinase 0.264554 1 1
Entamoeba histolytica protein kinase, putative 0.0468517 0.0346086 0.5
Echinococcus granulosus protein kinase C gamma type 0.231428 0.853104 0.853104
Brugia malayi Protein kinase domain containing protein 0.0468517 0.0346086 0.0434389
Brugia malayi Protein kinase domain containing protein 0.0468517 0.0346086 0.0434389
Schistosoma mansoni serine/threonine protein kinase 0.0468517 0.0346086 0.0346086
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0768702 0.167724 0.167724
Trichomonas vaginalis AGC family protein kinase 0.0468517 0.0346086 1
Echinococcus multilocularis protein kinase c epsilon type 0.0825654 0.19298 0.19298
Trichomonas vaginalis AGC family protein kinase 0.0468517 0.0346086 1
Echinococcus multilocularis serine:threonine protein kinase 38 0.0468517 0.0346086 0.0346086
Schistosoma mansoni serine/threonine protein kinase 0.0468517 0.0346086 0.0346086
Loa Loa (eye worm) hypothetical protein 0.142386 0.458251 0.586927
Echinococcus granulosus serine:threonine protein kinase N2 0.0468517 0.0346086 0.0346086
Trichomonas vaginalis AGC family protein kinase 0.0468517 0.0346086 1
Trichomonas vaginalis AGC family protein kinase 0.0468517 0.0346086 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0468517 0.0346086 0.0346086
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0768702 0.167724 0.5
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.181988 0.633867 0.633867
Trichomonas vaginalis AGC family protein kinase 0.0468517 0.0346086 1
Brugia malayi Hr1 repeat family protein 0.0468517 0.0346086 0.0434389
Entamoeba histolytica protein kinase, putative 0.0468517 0.0346086 0.5
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0468517 0.0346086 0.0346086
Leishmania major carbonic anhydrase-like protein 0.0768702 0.167724 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0768702 0.167724 0.214821

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 17 uM Antimicrobial activity against Plasmodium falciparum ChEMBL. 20185316
IC50 (functional) = 99 uM Antiproliferative activity against apoptosis resistant human A549 cells after 72 hrs by MTT assay ChEMBL. 26883150

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 20185316

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

No literature references available for this target.

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