TDR Targets

Basic information

Technical information

TDR Targets ID: 1473663
Name: 1-ethyl-2-[4-[2-(trifluoromethyl)phenyl]sulfo nylpiperazin-1-yl]benzimidazole
MW: 438.467 | Formula: C20H21F3N4O2S
H donors: 0 H acceptors: 3 LogP: 3.7 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCn1c(nc2c1cccc2)N1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F
InChi: 1S/C20H21F3N4O2S/c1-2-27-17-9-5-4-8-16(17)24-19(27)25-11-13-26(14-12-25)30(28,29)18-10-6-3-7-15(18)20(21,22)23/h3-10H,2,11-14H2,1H3
InChiKey: NIVBYTICZJUKRU-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

1-ethyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]benzimidazole
ZINC01370952
ASN 06354967

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.019	0.2696	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0048	0.0081
Onchocerca volvulus		0.0026	0.0185	0.0189
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0185	0.0687
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.019	0.2696	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0076	0.0944	0.0926
Onchocerca volvulus		0.0026	0.0185	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1599	0.5933
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0944	1
Brugia malayi	Probable ClpP-like protease	0.0076	0.0944	0.35
Schistosoma mansoni	lamin	0.0026	0.0185	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0178	0.066
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0185	0.0687
Schistosoma mansoni	peptidase Clp (S14 family)	0.0076	0.0944	0.0926
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.005	0.0545	0.5056
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0944	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0137	0.0335
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.019	0.2696	1
Schistosoma mansoni	hypothetical protein	0.0164	0.2294	0.2279
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0137	0.0508
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0944	0.3381
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0048	0.0179
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0137	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0137	0.0508
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0076	0.0944	1
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0132	0.1799	1
Echinococcus multilocularis	lamin	0.0026	0.0185	0.0166
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0944	1
Schistosoma mansoni	lamin	0.0026	0.0185	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0048	0.0179
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0048	0.0179
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.0944	1
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0059	0.0683	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0291	0.1078
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.019	0.2696	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0944	0.3381
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0137	0.0508
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0185	0.0687
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0048	0.0179
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0185	0.0687
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0076	0.0944	0.0926
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0048	0.0179
Leishmania major	hypothetical protein, conserved	0.0059	0.0683	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0291	0.1078
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0137	0.0335
Echinococcus granulosus	geminin	0.0164	0.2294	0.2279
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.019	0.2696	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0137	0.0335
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0524	0.1944
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0137	0.0335
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0137	0.0335
Onchocerca volvulus		0.019	0.2696	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0137	0.0335
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0026	0.0185	0.0593
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0524	0.1944
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0944	0.5
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0137	0.0335
Brugia malayi	hypothetical protein	0.0119	0.1599	0.5933
Trypanosoma cruzi	hypothetical protein, conserved	0.0059	0.0683	0.5
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0137	0.0584
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.019	0.2696	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0137	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1599	0.5933
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.019	0.2696	1
Echinococcus multilocularis	microtubule associated protein 2	0.0669	1	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0137	0.0584
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.005	0.0545	0.2894
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.0545	0.0526
Echinococcus granulosus	lamin dm0	0.0026	0.0185	0.0166
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.002	0.0073
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.0944	1
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.019	0.2696	0.5
Brugia malayi	intermediate filament protein	0.0026	0.0185	0.0687
Schistosoma mansoni	microtubule-associated protein tau	0.0669	1	1
Echinococcus granulosus	intermediate filament protein	0.0026	0.0185	0.0166
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0185	0.0166
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.005	0.0545	0.2894
Echinococcus granulosus	lamin	0.0026	0.0185	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0524	0.1944
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0944	1
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.019	0.2696	1
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.019	0.2696	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0026	0.0185	0.1526
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0076	0.0944	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0944	0.35
Echinococcus multilocularis	musashi	0.0026	0.0185	0.0166
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0137	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0137	0.0508
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.002	0.0073
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.019	0.2696	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0059	0.0683	0.5
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.0545	0.0526
Loa Loa (eye worm)	hypothetical protein	0.0015	0.002	0.0073
Onchocerca volvulus	Huntingtin homolog	0.0119	0.1599	0.5715
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.0185	0.1526
Onchocerca volvulus	Huntingtin homolog	0.0119	0.1599	0.5715
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.019	0.2696	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0524	0.1944
Schistosoma mansoni	hypothetical protein	0.0033	0.0291	0.0271
Echinococcus multilocularis	lamin dm0	0.0026	0.0185	0.0166
Schistosoma mansoni	hypothetical protein	0.0164	0.2294	0.2279
Echinococcus multilocularis	geminin	0.0164	0.2294	0.2279
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.002	0.0073

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

ChEMBL: CHEMBL1624940

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1473663