Detailed information for compound 889281

Basic information

Technical information
  • TDR Targets ID: 889281
  • Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(tr ifluoromethoxy)benzenesulfonamide
  • MW: 415.308 | Formula: C15H11F6NO4S
  • H donors: 1 H acceptors: 2 LogP: 4.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NS(=O)(=O)c1ccccc1OC(F)(F)F)C(F)(F)F
  • InChi: 1S/C15H11F6NO4S/c1-25-11-7-6-9(14(16,17)18)8-10(11)22-27(23,24)13-5-3-2-4-12(13)26-15(19,20)21/h2-8,22H,1H3
  • InChiKey: XRFBWCGWIRDXBN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 0.0099 0.0107
Entamoeba histolytica hypothetical protein 0.0073 0.1826 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0189 0.0175
Brugia malayi Importin beta-1 subunit 0.003 0.0522 0.0674
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0284 0.0425
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1048 0.0959
Schistosoma mansoni hypothetical protein 0.0316 0.9212 0.9205
Loa Loa (eye worm) hypothetical protein 0.0147 0.4087 0.4436
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0099 0.0084
Schistosoma mansoni smad1 5 8 and 0.0016 0.0121 0.0023
Echinococcus granulosus snurportin 1 0.0316 0.9212 0.9211
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0076 0.193 0.4188
Leishmania major dihydrofolate reductase-thymidylate synthase 0.016 0.4472 1
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0675 0.2792
Loa Loa (eye worm) hypothetical protein 0.0013 0.0015 0.0016
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.1074 0.1478
Echinococcus granulosus smad 0.0016 0.0121 0.0107
Echinococcus multilocularis lamin 0.0027 0.0435 0.042
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.016 0.4472 1
Entamoeba histolytica hypothetical protein 0.0073 0.1826 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0352 0.0934
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1048 0.1035
Loa Loa (eye worm) transcription factor SMAD2 0.0241 0.6934 0.7527
Brugia malayi isocitrate dehydrogenase 0.0016 0.0099 0.0059
Echinococcus multilocularis Smad4 0.0016 0.0121 0.0107
Mycobacterium ulcerans thymidylate synthase 0.016 0.4472 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0099 0.0084
Echinococcus granulosus biogenic amine 5HT receptor 0.0147 0.4087 0.4078
Brugia malayi MH1 domain containing protein 0.0016 0.0121 0.0092
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0284 0.0425
Plasmodium falciparum importin beta, putative 0.003 0.0522 0.0967
Loa Loa (eye worm) hypothetical protein 0.0026 0.042 0.0456
Echinococcus granulosus intermediate filament protein 0.0027 0.0435 0.042
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0675 0.2792
Loa Loa (eye worm) ICD-1 protein 0.0035 0.0675 0.0733
Schistosoma mansoni ap endonuclease 0.0019 0.0189 0.0091
Loa Loa (eye worm) Smad1 0.0016 0.0121 0.0132
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1048 0.1035
Entamoeba histolytica hypothetical protein 0.0073 0.1826 1
Schistosoma mansoni lamin 0.0027 0.0435 0.0339
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0121 0.0107
Trichomonas vaginalis ran, putative 0.0022 0.0284 0.0547
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0284 0.0309
Loa Loa (eye worm) thymidylate synthase 0.016 0.4472 0.4855
Entamoeba histolytica hypothetical protein 0.0073 0.1826 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0522 0.0566
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.1826 0.1814
Schistosoma mansoni hypothetical protein 0.0051 0.1179 0.1091
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0284 0.027
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1048 0.1035
Schistosoma mansoni hypothetical protein 0.0073 0.1826 0.1745
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0284 1
Echinococcus multilocularis thymidylate synthase 0.016 0.4472 0.4464
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0121 0.0132
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.016 0.4472 0.4417
Echinococcus multilocularis geminin 0.0342 1 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0284 0.027
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.016 0.4472 1
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.6738 0.6733
Brugia malayi Smad1 0.0016 0.0121 0.0092
Echinococcus granulosus thymidylate synthase 0.016 0.4472 0.4464
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0099 0.0059
Plasmodium vivax basic transcription factor 3b, putative 0.0035 0.0675 0.1318
Loa Loa (eye worm) MH2 domain-containing protein 0.0241 0.6934 0.7527
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0099 0.0084
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0675 0.2792
Entamoeba histolytica hypothetical protein 0.0024 0.0352 0.0993
Toxoplasma gondii NAC domain-containing protein 0.0035 0.0675 0.1318
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0522 0.0967
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0189 0.0191
Echinococcus multilocularis musashi 0.0027 0.0435 0.042
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.016 0.4472 0.5
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.016 0.4472 1
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0522 0.0967
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0189 0.0207
Schistosoma mansoni importin beta-1 0.003 0.0522 0.0427
Echinococcus granulosus transcription factor btf3 0.0035 0.0675 0.0661
Brugia malayi MH2 domain containing protein 0.0016 0.0121 0.0092
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0189 0.0207
Schistosoma mansoni survival motor neuron protein 0.0048 0.1074 0.0985
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0121 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.193 1
Echinococcus multilocularis smad 0.0016 0.0121 0.0107
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.016 0.4472 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0189 0.0205
Schistosoma mansoni hypothetical protein 0.0342 1 1
Entamoeba histolytica Ran family GTPase 0.0022 0.0284 0.0582
Echinococcus granulosus Smad4 0.0016 0.0121 0.0107
Onchocerca volvulus 0.0048 0.1074 0.1584
Echinococcus multilocularis snurportin 1 0.0316 0.9212 0.9211
Echinococcus multilocularis lamin dm0 0.0027 0.0435 0.042
Echinococcus multilocularis serotonin receptor 0.0147 0.4087 0.4078
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0099 0.0084
Brugia malayi intermediate filament protein 0.0027 0.0435 0.0548
Echinococcus multilocularis transcription factor btf3 0.0035 0.0675 0.0661
Schistosoma mansoni ap endonuclease 0.0019 0.0189 0.0091
Schistosoma mansoni hypothetical protein 0.0048 0.1074 0.0985
Loa Loa (eye worm) hypothetical protein 0.0235 0.6738 0.7314
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0352 0.0934
Echinococcus multilocularis importin subunit beta 1 0.003 0.0522 0.0507
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0284 0.0329
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0352 0.0579
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0121 0.0107
Leishmania major importin beta-1 subunit, putative 0.0024 0.0352 0.0579
Echinococcus granulosus lamin dm0 0.0027 0.0435 0.042
Echinococcus multilocularis serotonin receptor 0.0147 0.4087 0.4078
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0189 0.0175
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0522 0.0967
Brugia malayi hypothetical protein 0.0076 0.193 0.2723
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.016 0.4472 1
Plasmodium falciparum basic transcription factor 3b, putative 0.0035 0.0675 0.1318
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.6738 0.6733
Schistosoma mansoni hypothetical protein 0.0342 1 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0284 0.0425
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0352 0.0934
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0099 0.0084
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0121 0.0023
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.1826 0.1814
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0284 0.0425
Schistosoma mansoni biogenic amine (5HT) receptor 0.0147 0.4087 0.4028
Plasmodium vivax importin-beta 2, putative 0.003 0.0522 0.0967
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0284 0.0425
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0121 0.0107
Schistosoma mansoni transcription factor btf3 0.0035 0.0675 0.0582
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0189 0.0207
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0058 0.0063
Schistosoma mansoni Smad4 0.0016 0.0121 0.0023
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0435 0.0548
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.016 0.4472 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0316 0.9212 1
Brugia malayi beta-NAC-like protein 0.0035 0.0675 0.0898
Brugia malayi hypothetical protein 0.0073 0.1826 0.2572
Schistosoma mansoni smad1 5 8 and 0.0016 0.0121 0.0023
Leishmania major basic transcription factor 3a, putative 0.0035 0.0675 0.1318
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0189 0.0207
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0099 0.0084
Brugia malayi MH2 domain containing protein 0.0241 0.6934 1
Schistosoma mansoni smad 0.0016 0.0121 0.0023
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0435 0.0472
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1048 0.0959
Leishmania major GTP-binding protein, putative 0.0022 0.0284 0.0425
Mycobacterium tuberculosis Hypothetical protein 0.0076 0.193 0.4188
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0435 0.0472
Brugia malayi thymidylate synthase 0.016 0.4472 0.642
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0189 0.5
Schistosoma mansoni lamin 0.0027 0.0435 0.0339
Schistosoma mansoni intermediate filament proteins 0.0027 0.0435 0.0339
Loa Loa (eye worm) hypothetical protein 0.0147 0.4087 0.4436
Toxoplasma gondii exonuclease III APE 0.0019 0.0189 0.0207
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1048 0.0959
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0189 0.5
Brugia malayi MH2 domain containing protein 0.0016 0.0121 0.0092
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0675 0.1318
Echinococcus granulosus lamin 0.0027 0.0435 0.042
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1048 0.144
Schistosoma mansoni ran 0.0022 0.0284 0.0188
Trypanosoma brucei transcription factor BTF3, putative 0.0035 0.0675 0.1318
Brugia malayi hypothetical protein 0.0235 0.6738 0.9714
Entamoeba histolytica hypothetical protein 0.0035 0.0675 0.2969
Loa Loa (eye worm) hypothetical protein 0.0027 0.0435 0.0472
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0675 0.1318
Echinococcus granulosus importin subunit beta 1 0.003 0.0522 0.0507
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1048 0.1035
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0189 0.0207
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1048 0.1138
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0284 0.0425
Brugia malayi RNA, U transporter 1 0.0084 0.2178 0.3083
Schistosoma mansoni ran 0.0022 0.0284 0.0188
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0189 0.0207
Schistosoma mansoni smad1 5 8 and 0.0016 0.0121 0.0023
Entamoeba histolytica transcription factor BTF3, putative 0.0035 0.0675 0.2969
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0189 0.0207
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.1826 0.1745
Brugia malayi MH1 domain containing protein 0.0016 0.0121 0.0092
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0121 0.0132
Onchocerca volvulus 0.016 0.4472 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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