Detailed information for compound 325476

Basic information

Technical information
  • TDR Targets ID: 325476
  • Name: 5-phenyl-3-[[5-(trifluoromethyl)pyridin-2-yl] sulfonylamino]thiophene-2-carboxylic acid
  • MW: 428.405 | Formula: C17H11F3N2O4S2
  • H donors: 2 H acceptors: 5 LogP: 4.35 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1sc(cc1NS(=O)(=O)c1ccc(cn1)C(F)(F)F)c1ccccc1
  • InChi: 1S/C17H11F3N2O4S2/c18-17(19,20)11-6-7-14(21-9-11)28(25,26)22-12-8-13(27-15(12)16(23)24)10-4-2-1-3-5-10/h1-9,22H,(H,23,24)
  • InChiKey: POQLKLBEPAFHSO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-phenyl-3-[[5-(trifluoromethyl)-2-pyridyl]sulfonylamino]thiophene-2-carboxylic acid
  • 5-phenyl-3-[[5-(trifluoromethyl)-2-pyridyl]sulfonylamino]-2-thiophenecarboxylic acid
  • 5-phenyl-3-[[5-(trifluoromethyl)-2-pyridyl]sulfonylamino]-2-thenoic acid
  • 2-Thiophenecarboxylic acid, 5-phenyl-3-[[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]amino]-
  • AIDS-412143
  • AIDS412143

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Hepatitis C virus Hepatitis C virus NS5B RNA-dependent RNA polymerase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Candida albicans DNA helicase Get druggable targets OG5_128192 All targets in OG5_128192
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania braziliensis PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma congolense DNA repair and recombination helicase protein PIF6 Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma congolense DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative Get druggable targets OG5_128192 All targets in OG5_128192
Schistosoma japonicum ko:K01529 PIF1 5'-to-3' DNA helicase [EC:3.6.1.-], putative Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania donovani PIF1 helicase-like protein, putative Get druggable targets OG5_128192 All targets in OG5_128192
Candida albicans similar to putative DNA helicase involved in repair and recombination of mitochondrial DNA that also plays a role in (nuclear) c Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania infantum PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Schistosoma mansoni hypothetical protein Get druggable targets OG5_128192 All targets in OG5_128192
Echinococcus granulosus ATP dependent DNA helicase PIF1 Get druggable targets OG5_128192 All targets in OG5_128192
Echinococcus multilocularis ATP dependent DNA helicase PIF1 Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma brucei gambiense DNA repair and recombination helicase protein PIF1, putative,DNA repair and recombination protein, mitochondrial precursor, puta Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 Get druggable targets OG5_128192 All targets in OG5_128192
Giardia lamblia Rrm3p helicase Get druggable targets OG5_128192 All targets in OG5_128192
Entamoeba histolytica hypothetical protein, conserved Get druggable targets OG5_128192 All targets in OG5_128192
Candida albicans similar to PIF1 DNA helicase Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania mexicana PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania mexicana PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma brucei gambiense DNA repair and recombination helicase protein PIF1, putative,DNA repair and recombination protein, mitochondrial precursor, puta Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania infantum PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative Get druggable targets OG5_128192 All targets in OG5_128192
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative Get druggable targets OG5_128192 All targets in OG5_128192
Leishmania donovani PIF1 helicase-like protein, putative Get druggable targets OG5_128192 All targets in OG5_128192
Entamoeba histolytica DNA repair and recombination protein, putative Get druggable targets OG5_128192 All targets in OG5_128192
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
Chlamydia trachomatis D-amino acid dehydrogenase 0.003 0.0621 0.5
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.003 0.0621 0.0621
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0107 0.0107
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0034 0.0737 0.7849
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0034 0.0737 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0034 0.0737 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0784 0.0784
Schistosoma mansoni NAD dehydrogenase 0.003 0.0621 0.0621
Brugia malayi cDNA sequence BC016226 0.003 0.0621 0.6623
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.003 0.0621 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0041 0.0938 1
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0355 1 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0034 0.0737 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0034 0.0737 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0621 0.0621
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.003 0.0621 0.6623
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0107 0.0107
Giardia lamblia Rrm3p helicase 0.0034 0.0737 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0034 0.0737 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0107 0.1145
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0107 0.1145
Entamoeba histolytica hypothetical protein, conserved 0.0034 0.0737 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0041 0.0938 0.0938
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.003 0.0621 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0034 0.0737 1
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.003 0.0621 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0737 0.8551
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0107 0.1145
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0034 0.0737 0.7849
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0041 0.0938 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0861 1
Brugia malayi RE18450p 0.003 0.0621 0.6623
Loa Loa (eye worm) hypothetical protein 0.0012 0.0107 0.0107
Schistosoma mansoni fad oxidoreductase 0.003 0.0621 0.0621
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0107 0.1145
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.003 0.0621 0.5
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.003 0.0621 0.6623
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.1046 0.1046
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.003 0.0621 0.0621
Toxoplasma gondii hypothetical protein 0.003 0.0621 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.0737 0.0737
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.003 0.0621 0.6623
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.1046 0.1046
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.003 0.0621 0.6623
Onchocerca volvulus Putative fad oxidoreductase 0.003 0.0621 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0861 1
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0355 1 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.0034 0.0737 1
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0325 0.9147 1
Schistosoma mansoni fad oxidoreductase 0.003 0.0621 0.0621
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0034 0.0737 1
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.003 0.0621 0.6623
Loa Loa (eye worm) hypothetical protein 0.003 0.0621 0.0621
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0107 0.1145
Loa Loa (eye worm) hypothetical protein 0.003 0.0621 0.0621
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.003 0.0621 0.6623
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0041 0.0938 1
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.003 0.0621 0.0621
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.003 0.0621 0.5
Schistosoma mansoni d-amino acid oxidase 0.0355 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 15 uM Inhibitory concentration for NS5B RNA-dependent RNA polymerase of Hepatitis C virus ChEMBL. 15454222
IC50 (binding) = 15 uM Inhibitory concentration for NS5B RNA-dependent RNA polymerase of Hepatitis C virus ChEMBL. 15454222

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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