Detailed information for compound 837694

Basic information

Technical information
  • TDR Targets ID: 837694
  • Name: 3-(2-chlorophenyl)-5,5-dioxo-1-[3-(trifluorom ethyl)phenyl]-3a,4,6,6a-tetrahydrothieno[3,4- d]imidazol-2-one
  • MW: 430.829 | Formula: C18H14ClF3N2O3S
  • H donors: 0 H acceptors: 3 LogP: 3.42 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(c2cccc(c2)C(F)(F)F)C2C(N1c1ccccc1Cl)CS(=O)(=O)C2
  • InChi: 1S/C18H14ClF3N2O3S/c19-13-6-1-2-7-14(13)24-16-10-28(26,27)9-15(16)23(17(24)25)12-5-3-4-11(8-12)18(20,21)22/h1-8,15-16H,9-10H2
  • InChiKey: CKRJIMVKHPSCIZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2-chlorophenyl)-5,5-diketo-1-[3-(trifluoromethyl)phenyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
  • EU-0015760
  • AF-399/41704866

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
Brugia malayi NADH dehydrogenase subunit 1 0.0084 0.0306 0.0835
Echinococcus multilocularis transfer RNA-Lys 0.0081 0.0289 0.083
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0046 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.0079 0.0275 0.0791
Leishmania major acyl carrier protein, putative 0.0046 0.0094 0.0271
Loa Loa (eye worm) hypothetical protein 0.0091 0.0342 0.0982
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) 0.0313 0.1562 0.1482
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0017 0.004
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0029 0.0002 0.0006
Leishmania major NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0663 0.348 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0148 0.0654 0.0565
Echinococcus multilocularis protein kinase c iota type 0.0029 0.0004 0.001
Echinococcus multilocularis Protein kinase C, brain isozyme 0.011 0.0449 0.129
Brugia malayi NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor 0.0663 0.348 1
Brugia malayi hypothetical protein 0.0368 0.1861 0.5324
Schistosoma mansoni serine/threonine protein kinase 0.011 0.0449 0.1281
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0046 0.0094 0.5
Chlamydia trachomatis acyl carrier protein 0.0046 0.0094 1
Brugia malayi hypoxia-induced factor 1 0.0339 0.1704 0.4873
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0357 0.1804 0.5161
Echinococcus granulosus single minded 2 0.0081 0.0289 0.083
Echinococcus granulosus Protein kinase C brain isozyme 0.011 0.0449 0.129
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0082 0.0291 0.0837
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0046 0.0094 0.0223
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.0094 0.5
Onchocerca volvulus 0.0046 0.0094 0.0526
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0046 0.0094 0.0271
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0663 0.348 1
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.0663 0.348 1
Echinococcus multilocularis NADH dehydrogenase 0.0046 0.0094 0.0271
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0046 0.0094 0.0526
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0029 0.0002 0.0006
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0046 0.0094 0.0094
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0357 0.1804 0.5185
Schistosoma mansoni acyl carrier protein 0.0046 0.0094 0.0261
Schistosoma mansoni aryl hydrocarbon receptor 0.011 0.0445 0.127
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.0663 0.348 1
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0663 0.348 1
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.1851 1 1
Brugia malayi bHLH-PAS transcription factor 0.0081 0.0289 0.0784
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial 0.0663 0.348 1
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0663 0.348 1
Brugia malayi NADH dehydrogenase subunit 1, identical 0.0084 0.0306 0.0835
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0046 0.0094 0.0094
Onchocerca volvulus Fatty acid synthase homolog 0.0046 0.0094 0.0526
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0046 0.0094 0.0223
Schistosoma mansoni NADH dehydrogenase subunit 1 0.0084 0.0306 0.0871
Onchocerca volvulus 0.0084 0.0306 0.1709
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0357 0.1804 0.5185
Onchocerca volvulus NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog 0.0355 0.1793 1
Mycobacterium tuberculosis Possible formate hydrogenlyase HycD (FHL) 0.0084 0.0306 0.0214
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative 0.0663 0.348 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0046 0.0094 0.0271
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0357 0.1804 0.5185
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.0094 0.5
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0663 0.348 1
Schistosoma mansoni hypothetical protein 0.0313 0.1562 0.4484
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.0663 0.348 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0046 0.0094 0.0223
Mycobacterium ulcerans NADH dehydrogenase subunit H 0.0313 0.1562 0.1482
Mycobacterium leprae conserved hypothetical protein 0.0046 0.0094 0.0094
Brugia malayi Phosphopantetheine attachment site family protein 0.0046 0.0094 0.0223
Toxoplasma gondii acyl carrier protein ACP 0.0046 0.0094 0.5
Loa Loa (eye worm) acyl carrier protein 0.0046 0.0094 0.0271
Loa Loa (eye worm) NADH dehydrogenase subunit 1 0.0084 0.0306 0.088
Plasmodium falciparum acyl carrier protein 0.0046 0.0094 0.5
Mycobacterium leprae Polyketide synthase Pks13 0.0046 0.0094 0.0094
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F) 0.0663 0.348 0.3418
Schistosoma mansoni hypothetical protein 0.0046 0.0094 0.0261
Echinococcus granulosus RNA directed DNA polymerase 0.0079 0.0275 0.0791
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0046 0.0094 0.0094
Plasmodium vivax acyl carrier protein, putative 0.0046 0.0094 0.5
Leishmania major protein kinase, putative 0.0029 0.0002 0.0006
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0029 0.0002 0.0006
Echinococcus granulosus NADH dehydrogenase 0.0046 0.0094 0.0271
Brugia malayi PAS domain containing protein 0.011 0.0445 0.1235
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase subunit H 0.0313 0.1562 0.4336
Echinococcus granulosus acyl carrier protein mitochondrial 0.0046 0.0094 0.0271
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0357 0.1804 0.518
Onchocerca volvulus 0.0046 0.0094 0.0526
Echinococcus granulosus protein kinase c iota type 0.0029 0.0004 0.001
Mycobacterium ulcerans proteasome PrcA 0.1851 1 1
Echinococcus multilocularis protein kinase c epsilon type 0.0032 0.0017 0.005
Echinococcus granulosus AMP dependent ligase 0.0046 0.0094 0.0271
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0046 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.0368 0.1861 0.5347
Mycobacterium ulcerans formate hydrogenlyase HycD 0.0084 0.0306 0.0214
Schistosoma mansoni single-minded 0.011 0.0445 0.127
Onchocerca volvulus 0.0081 0.0289 0.161
Schistosoma mansoni serine/threonine protein kinase 0.011 0.0449 0.1281
Brugia malayi hypothetical protein 0.0084 0.0306 0.0835
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0046 0.0094 0.5
Loa Loa (eye worm) acyl carrier protein 0.0046 0.0094 0.0271
Leishmania major protein kinase, putative 0.0029 0.0002 0.0006
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0046 0.0094 0.0223
Toxoplasma gondii type I fatty acid synthase, putative 0.0046 0.0094 0.5
Treponema pallidum nitrogen fixation protein (rnfC) 0.0148 0.0654 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0032 0.0017 0.005
Brugia malayi Protein kinase c protein 2 0.0094 0.0357 0.0982
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.0663 0.348 1
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.0663 0.348 0.3418
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0094 0.0223
Mycobacterium ulcerans membrane protein ComEA 0.0148 0.0654 0.0565
Onchocerca volvulus 0.0046 0.0094 0.0526
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0046 0.0094 0.0094
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0046 0.0094 0.0094
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0046 0.0094 0.0094
Echinococcus granulosus protein kinase C gamma type 0.0098 0.0383 0.11
Echinococcus multilocularis AMP dependent ligase 0.0046 0.0094 0.0271
Loa Loa (eye worm) hypothetical protein 0.0046 0.0094 0.0271
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0046 0.0094 0.0271
Mycobacterium leprae Probable polyketide synthase Pks1 0.0046 0.0094 0.0094
Echinococcus multilocularis RNA directed DNA polymerase 0.0079 0.0275 0.0791
Loa Loa (eye worm) hypoxia-induced factor 1 0.0339 0.1704 0.4898
Echinococcus multilocularis serine threonine protein kinase 0.0098 0.0383 0.11
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0079 0.0275 0.0791
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0046 0.0094 0.0271
Mycobacterium ulcerans putative regulatory protein 0.0081 0.0289 0.0196
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0663 0.348 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0046 0.0094 0.5
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0094 0.0223
Echinococcus granulosus NADH dehydrogenase subunit 1 0.0313 0.1562 0.4489
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0029 0.0002 0.0006
Onchocerca volvulus 0.0084 0.0306 0.1709
Echinococcus granulosus protein kinase c epsilon type 0.0032 0.0017 0.005

Activities

No activities found for this compound.

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

No literature references available for this target.

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