Detailed information for compound 57116

Basic information

Technical information
  • TDR Targets ID: 57116
  • Name: 2-methyl-5-[4-(trifluoromethyl)anilino]-1,3-b enzothiazole-4,7-dione
  • MW: 338.304 | Formula: C15H9F3N2O2S
  • H donors: 1 H acceptors: 3 LogP: 4.18 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1sc2c(n1)C(=O)C(=CC2=O)Nc1ccc(cc1)C(F)(F)F
  • InChi: 1S/C15H9F3N2O2S/c1-7-19-12-13(22)10(6-11(21)14(12)23-7)20-9-4-2-8(3-5-9)15(16,17)18/h2-6,20H,1H3
  • InChiKey: ALXOAVPKCQEGSS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methyl-5-[[4-(trifluoromethyl)phenyl]amino]-1,3-benzothiazole-4,7-dione
  • 2-methyl-5-[4-(trifluoromethyl)anilino]-1,3-benzothiazole-4,7-quinone
  • 2-methyl-5-[[4-(trifluoromethyl)phenyl]amino]-1,3-benzothiazole-4,7-quinone
  • 2-Methyl-5-{[4-(trifluoromethyl)phenyl]amino}benzothiazole-4,7-dione
  • AIDS-097148
  • AIDS097148

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 cAMP dependent protein kinase catalytic subunit 0.004 0.0602 0.0057
Brugia malayi Glycosyl hydrolase family 20, catalytic domain containing protein 0.0083 0.1868 0.1347
Wolbachia endosymbiont of Brugia malayi DNA polymerase I 0.0058 0.1105 0.5
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.004 0.0602 0.0057
Trypanosoma cruzi cdc2-related kinase 1 0.0088 0.2007 1
Toxoplasma gondii AGC kinase 0.004 0.0602 0.2998
Trichomonas vaginalis beta-hexosaminidase, putative 0.0083 0.1868 0.2335
Trypanosoma brucei cdc2-related kinase 1 0.0088 0.2007 1
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0041 0.0614 0.009
Trypanosoma cruzi cdc2-related kinase 3 0.0088 0.2007 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0088 0.2007 0.1495
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative 0.0058 0.1129 0.3753
Trichomonas vaginalis beta-hexosaminidase, putative 0.0225 0.6026 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0088 0.2007 0.1495
Echinococcus multilocularis cyclin dependent kinase 1 0.0088 0.2007 0.1544
Echinococcus granulosus cyclin dependent kinase 5 0.0088 0.2007 0.1544
Plasmodium falciparum telomerase reverse transcriptase 0.0088 0.2003 0.9972
Trichomonas vaginalis CMGC family protein kinase 0.0088 0.2007 0.2591
Trypanosoma cruzi cdc2-related kinase 1 0.0088 0.2007 1
Trypanosoma cruzi Wee1-like protein kinase, putative 0.0058 0.1129 0.3753
Echinococcus multilocularis cyclin dependent kinase 5 0.0088 0.2007 0.1544
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0088 0.2007 0.1495
Trypanosoma cruzi Wee1-like protein kinase, putative 0.0058 0.1129 0.3753
Echinococcus granulosus cyclin dependent kinase 0.0088 0.2007 0.1544
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0088 0.2007 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0088 0.2003 0.9972
Trypanosoma brucei wee1-like protein kinase 0.0058 0.1129 0.3753
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0088 0.2007 1
Brugia malayi Glycosyl hydrolase family 20, catalytic domain containing protein 0.0083 0.1868 0.1347
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0041 0.0614 0.009
Plasmodium falciparum protein kinase 5 0.0088 0.2007 1
Toxoplasma gondii AGC kinase 0.004 0.0602 0.2998
Plasmodium falciparum 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0041 0.0614 0.009
Entamoeba histolytica beta-N-acetylhexosaminidase, beta subunit 0.036 1 1
Plasmodium vivax 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0041 0.0614 0.009
Trypanosoma cruzi cdc2-related kinase 3 0.0088 0.2007 1
Toxoplasma gondii RNA-directed DNA polymerase 0.0088 0.2003 0.998
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0088 0.2007 0.1544
Trichomonas vaginalis beta-hexosaminidase, putative 0.0225 0.6026 1
Mycobacterium leprae PROBABLE DNA POLYMERASE I POLA 0.0058 0.1105 0.5
Plasmodium vivax protein kinase Crk2 0.0088 0.2007 1
Trypanosoma brucei cdc2-related kinase 3 0.0088 0.2007 1
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.004 0.0602 0.0057
Echinococcus multilocularis beta hexosaminidase subunit beta 0.036 1 1
Echinococcus granulosus beta hexosaminidase subunit alpha 0.0225 0.6026 0.5796
Loa Loa (eye worm) hypothetical protein 0.0083 0.1868 0.1347
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.004 0.0602 0.0057
Trypanosoma cruzi Wee1-like protein kinase, putative 0.0058 0.1129 0.3753
Echinococcus granulosus beta hexosaminidase subunit beta 0.036 1 1
Trypanosoma brucei telomerase reverse transcriptase 0.0088 0.2003 0.9972
Entamoeba histolytica beta-N-acetylhexosaminidase, alpha subunit 0.036 1 1
Chlamydia trachomatis DNA polymerase I 0.0058 0.1105 0.5
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.004 0.0602 0.0057
Trichomonas vaginalis CMGC family protein kinase 0.0088 0.2007 0.2591
Trichomonas vaginalis beta-hexosaminidase B, putative 0.0225 0.6026 1
Entamoeba histolytica beta-N-acetylhexosaminidase, putative 0.036 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0088 0.2007 0.1495
Brugia malayi Telomerase reverse transcriptase 0.0234 0.631 0.6074
Plasmodium vivax telomerase reverse transcriptase, putative 0.0088 0.2003 0.9972
Leishmania major telomerase reverse transcriptase, putative 0.0088 0.2003 0.9972
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.004 0.0602 0.2998
Brugia malayi cell division control protein 2 homolog 0.0088 0.2007 0.1495
Loa Loa (eye worm) hypothetical protein 0.0086 0.1953 0.1437
Trichomonas vaginalis beta-hexosaminidase, putative 0.0225 0.6026 1
Trichomonas vaginalis CMGC family protein kinase 0.0088 0.2007 0.2591
Echinococcus multilocularis cyclin dependent kinase 1 0.0088 0.2007 0.1544
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0088 0.2007 0.1495
Echinococcus granulosus cyclin dependent kinase 1 0.0088 0.2007 0.1544
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0088 0.2007 0.1495
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.004 0.0602 0.0057
Schistosoma mansoni beta-hexosaminidase B 0.036 1 1
Echinococcus multilocularis beta hexosaminidase subunit alpha 0.0225 0.6026 0.5796
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0058 0.1129 0.3753
Trypanosoma brucei mitochondrial structure specific endonuclease I (SSE-1), putative 0.0041 0.0614 0.009
Treponema pallidum DNA polymerase I (polA) 0.0058 0.1105 0.5
Giardia lamblia Kinase, CMGC CDK 0.0088 0.2007 1
Entamoeba histolytica beta-N-acetylhexosaminidase, putative 0.036 1 1
Echinococcus multilocularis cyclin dependent kinase 0.0088 0.2007 0.1544
Giardia lamblia Kinase, CMGC CDK 0.0088 0.2007 1
Mycobacterium tuberculosis Probable DNA polymerase I PolA 0.0058 0.1105 1
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0088 0.2007 1
Schistosoma mansoni beta-hexosaminidase B 0.036 1 1
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.004 0.0602 0.0057
Schistosoma mansoni serine/threonine protein kinase 0.0088 0.2007 0.1495
Loa Loa (eye worm) glycosyl hydrolase family 20 0.036 1 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.1868 0.1347
Mycobacterium ulcerans DNA polymerase I 0.0058 0.1105 1
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0322 0.8903 1
Giardia lamblia Telomerase catalytic subunit 0.0088 0.2003 0.9972
Brugia malayi Protein kinase domain containing protein 0.0088 0.2007 0.1495
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0088 0.2003 0.9972
Leishmania major mitochondrial structure specific endonuclease I (SSE-1), putative 0.0041 0.0614 0.009

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 ug ml-1 In vitro cytotoxicity against HepG2 cells (Hepatocarcinoma from ATCC) by MTT assay ChEMBL. 10915058
IC50 (functional) > 100 ug ml-1 In vitro cytotoxicity against HepG2 cells (Hepatocarcinoma from ATCC) by MTT assay ChEMBL. 10915058
MIC (functional) = 3.2 ug ml-1 Antifungal activity against Candida krusei ATCC 749 ChEMBL. 10915058
MIC (functional) = 6.3 ug ml-1 Antifungal activity against Aspergillus niger KCTC 1231 ChEMBL. 10915058
MIC (functional) = 12.5 ug ml-1 Antifungal activity against Candida albicans ATCC 10231 ChEMBL. 10915058
MIC (functional) = 12.5 ug ml-1 Antifungal activity against Candida tropicalis ATCC 28775 ChEMBL. 10915058
MIC (functional) = 12.5 ug ml-1 Antifungal activity against Candida albicans ATCC 10231 ChEMBL. 10915058

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.