Detailed information for compound 666905

Basic information

Technical information
  • TDR Targets ID: 666905
  • Name: 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sul fonylamino]-N-[3-(trifluoromethyl)phenyl]acet amide
  • MW: 480.475 | Formula: C23H20F4N2O3S
  • H donors: 1 H acceptors: 3 LogP: 4.82 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)c1ccc(cc1)C)Cc1ccccc1F)Nc1cccc(c1)C(F)(F)F
  • InChi: 1S/C23H20F4N2O3S/c1-16-9-11-20(12-10-16)33(31,32)29(14-17-5-2-3-8-21(17)24)15-22(30)28-19-7-4-6-18(13-19)23(25,26)27/h2-13H,14-15H2,1H3,(H,28,30)
  • InChiKey: FPJYLOMJKUDLJM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]-N-[3-(trifluoromethyl)phenyl]acetamide
  • 2-[(2-fluorobenzyl)-(4-methylphenyl)sulfonyl-amino]-N-[3-(trifluoromethyl)phenyl]acetamide
  • 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]-N-[3-(trifluoromethyl)phenyl]ethanamide
  • ZINC02810711
  • STK152111

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
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0176 0.0176
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.2355 0.2395
Brugia malayi hypothetical protein 0.0039 0.1709 0.1712
Loa Loa (eye worm) hypothetical protein 0.0026 0.0892 0.0935
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1346 0.1328
Loa Loa (eye worm) hypothetical protein 0.0158 0.954 1
Echinococcus granulosus expressed protein 0.005 0.2483 0.2483
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0178 0.0178
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0176 0.0176
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0039 0.1734 0.1734
Plasmodium falciparum sortilin 0.0069 0.3731 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0039 0.1734 0.1734
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0178 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.68 0.7128
Echinococcus multilocularis expressed protein 0.005 0.2483 0.2483
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0178 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0176 0.009
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0178 0.0187
Loa Loa (eye worm) hypothetical protein 0.0057 0.2938 0.308
Loa Loa (eye worm) hypothetical protein 0.0043 0.1982 0.2078
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0057 0.2938 0.2938
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0178 0.0178
Brugia malayi metabotropic glutamate receptor type 2 0.0023 0.0661 0.0602
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0176 0.0185
Schistosoma mansoni metabotropic glutamate receptor 0.0039 0.1734 0.1585
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0178 0.0002
Schistosoma mansoni sortilin 0.0049 0.24 0.2263
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0892 0.0935
Echinococcus granulosus intermediate filament protein 0.0026 0.0892 0.0892
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.0043 0.1982 0.5079
Loa Loa (eye worm) glutamate receptor 0.0018 0.0373 0.0391
Loa Loa (eye worm) hypothetical protein 0.0048 0.2355 0.2468
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.005 0.2483 0.2531
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0178 0.0178
Echinococcus multilocularis geminin 0.0165 1 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0178 0.5
Echinococcus multilocularis muscleblind protein 0.0158 0.954 0.954
Schistosoma mansoni hypothetical protein 0.0043 0.1982 0.1838
Brugia malayi Metabotropic glutamate receptor precursor. 0.0047 0.2231 0.2264
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0176 0.0176
Loa Loa (eye worm) glutamate receptor 0.0047 0.2231 0.2338
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0892 0.0847
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0176 0.0176
Loa Loa (eye worm) hypothetical protein 0.0158 0.954 1
Toxoplasma gondii sortilin, putative 0.0069 0.3731 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0178 0.0178
Brugia malayi hypothetical protein 0.0039 0.1709 0.1712
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.005 0.2483 0.6488
Echinococcus granulosus sortilin 0.0069 0.3731 0.3731
Schistosoma mansoni lamin 0.0026 0.0892 0.0728
Echinococcus multilocularis muscleblind protein 1 0.0158 0.954 0.954
Schistosoma mansoni hypothetical protein 0.0165 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.1346 0.1191
Echinococcus granulosus muscleblind protein 0.0158 0.954 0.954
Schistosoma mansoni intermediate filament proteins 0.0026 0.0892 0.0728
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0176 0.009
Brugia malayi MH2 domain containing protein 0.0116 0.68 0.71
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0178 0.0178
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0178 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0178 0.0178
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.2355 0.2468
Loa Loa (eye worm) hypothetical protein 0.0026 0.086 0.0902
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.2355 0.2395
Schistosoma mansoni hypothetical protein 0.0017 0.0286 0.0112
Echinococcus granulosus lamin dm0 0.0026 0.0892 0.0892
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0178 0.5
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.005 0.2483 0.6488
Plasmodium vivax sortilin, putative 0.0069 0.3731 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0176 0.0185
Schistosoma mansoni metabotropic glutamate receptor 0.0023 0.0661 0.0493
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0043 0.1982 0.2001
Echinococcus granulosus lamin 0.0026 0.0892 0.0892
Schistosoma mansoni hypothetical protein 0.002 0.0499 0.0329
Echinococcus granulosus GPCR family 2 0.0015 0.0176 0.0176
Echinococcus multilocularis GPCR, family 2 0.0015 0.0176 0.0176
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.005 0.2483 0.6488
Schistosoma mansoni hypothetical protein 0.0165 1 1
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.0043 0.1982 0.5079
Onchocerca volvulus 0.0026 0.0892 0.5
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.005 0.2483 0.2603
Schistosoma mansoni hypothetical protein 0.0017 0.0286 0.0112
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0053 0.265 0.2518
Toxoplasma gondii TIM10 family protein, putative 0.005 0.2483 0.6488
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0043 0.1982 0.1982
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0178 0.0092
Loa Loa (eye worm) hypothetical protein 0.0033 0.1346 0.1411
Onchocerca volvulus 0.0026 0.0892 0.5
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0043 0.1982 0.2001
Echinococcus multilocularis lamin 0.0026 0.0892 0.0892
Echinococcus granulosus metabotropic glutamate receptor 5 0.0057 0.2938 0.2938
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.0043 0.1982 0.5079
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0092 0.0096
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0042 0.1943 0.1959
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.68 0.7128
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.005 0.2483 0.2348
Echinococcus multilocularis lamin dm0 0.0026 0.0892 0.0892
Echinococcus multilocularis sortilin 0.0069 0.3731 0.3731
Brugia malayi intermediate filament protein 0.0026 0.0892 0.0847
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0043 0.1982 0.2001
Brugia malayi isocitrate dehydrogenase 0.0015 0.0178 0.0092
Schistosoma mansoni lamin 0.0026 0.0892 0.0728
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0892 0.0935
Echinococcus multilocularis musashi 0.0026 0.0892 0.0892
Brugia malayi Muscleblind-like protein 0.0158 0.954 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0178 0.5

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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