Detailed information for compound 330959

Basic information

Technical information
  • TDR Targets ID: 330959
  • Name: 5-chloro-4-nitro-N-[4-(trifluoromethyl)phenyl ]thiophene-2-sulfonamide
  • MW: 386.755 | Formula: C11H6ClF3N2O4S2
  • H donors: 1 H acceptors: 4 LogP: 4.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1cc(sc1Cl)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
  • InChi: 1S/C11H6ClF3N2O4S2/c12-10-8(17(18)19)5-9(22-10)23(20,21)16-7-3-1-6(2-4-7)11(13,14)15/h1-5,16H
  • InChiKey: HDOYVOUNESIPKK-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5-chloro-4-nitro-N-[4-(trifluoromethyl)phenyl]-2-thiophenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Plasmodium falciparum MO15-related protein kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum cyclin-dependent kinase-related kinase, putative Get druggable targets OG5_141009 All targets in OG5_141009
Plasmodium yoelii MO15-related protein kinase Pfmrk Get druggable targets OG5_141009 All targets in OG5_141009
Babesia bovis cyclin-dependent kinase-related kinase, putative Get druggable targets OG5_141009 All targets in OG5_141009
Theileria parva cyclin-dependent kinase, putative Get druggable targets OG5_141009 All targets in OG5_141009
Toxoplasma gondii cell-cycle-associated protein kinase, putative Get druggable targets OG5_141009 All targets in OG5_141009
Plasmodium berghei MO15-related protein kinase Get druggable targets OG5_141009 All targets in OG5_141009
Cryptosporidium hominis cyclin-dependent kinase-related kinase Get druggable targets OG5_141009 All targets in OG5_141009
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative Get druggable targets OG5_141009 All targets in OG5_141009
Plasmodium knowlesi MO15-related protein kinase Get druggable targets OG5_141009 All targets in OG5_141009
Neospora caninum CAM kinase, CDPK family, putative Get druggable targets OG5_141009 All targets in OG5_141009
Plasmodium falciparum MO15-related protein kinase Get druggable targets OG5_141009 All targets in OG5_141009

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 MO15-related protein kinase 324 aa 313 aa 27.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Plasmodium falciparum MO15-related protein kinase 0.0144 0.7787 0.9195
Brugia malayi histone deacetylase 11 0.0047 0.1474 0.1741
Schistosoma mansoni histone deacetylase hda2 0.0047 0.1474 0.1474
Schistosoma mansoni histone deacetylase 0.0047 0.1474 0.1474
Echinococcus multilocularis histone deacetylase 3 0.0047 0.1474 0.1474
Echinococcus granulosus histone deacetylase 0.0155 0.8468 0.8468
Trypanosoma cruzi histone deacetylase, putative 0.0155 0.8468 1
Echinococcus granulosus histone deacetylase 3 0.0047 0.1474 0.1474
Toxoplasma gondii cell-cycle-associated protein kinase, putative 0.0135 0.7173 0.847
Plasmodium vivax histone deacetylase 1, putative 0.0047 0.1474 0.1741
Loa Loa (eye worm) hypothetical protein 0.0108 0.5462 0.645
Trypanosoma cruzi histone deacetylase, putative 0.0047 0.1474 0.1741
Schistosoma mansoni histone deacetylase 4 5 0.0155 0.8468 0.8468
Echinococcus granulosus histone deacetylase 6 0.0155 0.8468 0.8468
Trypanosoma cruzi histone deacetylase 1, putative 0.0047 0.1474 0.1741
Trypanosoma brucei histone deacetylase 1 0.0047 0.1474 0.1741
Brugia malayi histone deacetylase 3 (HD3) 0.0047 0.1474 0.1741
Trichomonas vaginalis histone deacetylase, putative 0.0047 0.1474 1
Schistosoma mansoni histone deacetylase 4 5 0.0155 0.8468 0.8468
Toxoplasma gondii histone deacetylase HDAC2 0.0047 0.1474 0.1741
Plasmodium vivax histone deacetylase, putative 0.0155 0.8468 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.1474 0.1741
Echinococcus granulosus histone deacetylase 7 0.0155 0.8468 0.8468
Entamoeba histolytica histone deacetylase, putative 0.0047 0.1474 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.1474 0.1741
Plasmodium falciparum histone deacetylase 2 0.0155 0.8468 1
Trypanosoma brucei histone deacetylase 2 0.0047 0.1474 0.1741
Trichomonas vaginalis histone deacetylase, putative 0.0047 0.1474 1
Giardia lamblia Histone deacetylase 0.0047 0.1474 1
Toxoplasma gondii histone deacetylase HDAC3 0.0047 0.1474 0.1741
Toxoplasma gondii histone deacetylase HDAC4 0.0047 0.1474 0.1741
Trypanosoma cruzi histone deacetylase, putative 0.0155 0.8468 1
Trichomonas vaginalis histone deacetylase, putative 0.0047 0.1474 1
Echinococcus multilocularis histone deacetylase 0.0155 0.8468 0.8468
Trypanosoma brucei histone deacetylase 4 0.0155 0.8468 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0047 0.1474 0.1741
Echinococcus multilocularis histone deacetylase 1 0.0047 0.1474 0.1474
Schistosoma mansoni histone deacetylase hda2 0.0178 1 1
Toxoplasma gondii histone deacetylase HDAC5 0.0047 0.1474 0.1741
Loa Loa (eye worm) histone deacetylase 11 0.0047 0.1474 0.1741
Schistosoma mansoni histone deacetylase 0.0047 0.1474 0.1474
Plasmodium falciparum histone deacetylase, putative 0.0155 0.8468 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0047 0.1474 1
Plasmodium falciparum histone deacetylase 1 0.0047 0.1474 0.1741
Trypanosoma cruzi histone deacetylase, putative 0.0155 0.8468 1
Echinococcus multilocularis histone deacetylase 7 0.0155 0.8468 0.8468
Trypanosoma brucei histone deacetylase, putative 0.0155 0.8468 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0047 0.1474 1
Echinococcus multilocularis histone deacetylase 6 0.0155 0.8468 0.8468
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0047 0.1474 1
Leishmania major histone deacetylase, putative 0.0155 0.8468 1
Loa Loa (eye worm) histone deacetylase 0.0155 0.8468 1
Echinococcus granulosus histone deacetylase 8 0.0047 0.1474 0.1474
Brugia malayi histone deacetylase 1 (HD1) 0.0047 0.1474 0.1741
Loa Loa (eye worm) histone deacetylase 3 0.0047 0.1474 0.1741
Loa Loa (eye worm) hypothetical protein 0.0132 0.6994 0.8259
Schistosoma mansoni histone deacetylase 1 2 3 0.0047 0.1474 0.1474
Brugia malayi Histone deacetylase 1 0.0047 0.1474 0.1741
Echinococcus granulosus histone deacetylase 6 0.0155 0.8468 0.8468
Echinococcus multilocularis histone deacetylase 6 0.0178 1 1
Leishmania major histone deacetylase, putative 0.0047 0.1474 0.1741
Toxoplasma gondii histone deacetylase HDAC1 0.0155 0.8468 1
Trypanosoma brucei histone deacetylase 3 0.0155 0.8468 1
Echinococcus multilocularis histone deacetylase 6 0.0155 0.8468 0.8468
Trichomonas vaginalis histone deacetylase, putative 0.0047 0.1474 1
Plasmodium vivax histone deacetylase 2, putative 0.0155 0.8468 1
Loa Loa (eye worm) histone deacetylase 7A 0.0155 0.8468 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0047 0.1474 1
Leishmania major histone deacetylase, putative 0.0047 0.1474 0.1741
Trichomonas vaginalis histone deacetylase, putative 0.0047 0.1474 1
Brugia malayi Histone deacetylase family protein 0.0155 0.8468 1
Loa Loa (eye worm) histone deacetylase 1 0.0047 0.1474 0.1741
Brugia malayi Histone deacetylase family protein 0.0155 0.8468 1
Leishmania major histone deacetylase, putative 0.0155 0.8468 1
Trichomonas vaginalis histone deacetylase, putative 0.0047 0.1474 1
Plasmodium vivax histone deacetylase, putative 0.0047 0.1474 0.1741
Echinococcus multilocularis histone deacetylase 8 0.0047 0.1474 0.1474
Echinococcus granulosus histone deacetylase 1 0.0047 0.1474 0.1474
Trypanosoma cruzi histone deacetylase, putative 0.0047 0.1474 0.1741
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0144 0.7787 0.9195

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.5 uM Inhibition of Plasmodium falciparum cyclin-dependent kinase ChEMBL. 15481979
IC50 (binding) = 2.5 uM Inhibition of Plasmodium falciparum cyclin-dependent kinase ChEMBL. 15481979

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.