TDR Targets

Basic information

Technical information

TDR Targets ID: 705286
Name: 4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thio phen-2-ylethyl]benzamide
MW: 423.909 | Formula: C19H15ClFNO3S2
H donors: 1 H acceptors: 3 LogP: 4.11 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)S(=O)(=O)C(c1cccs1)CNC(=O)c1ccc(cc1)Cl
InChi: 1S/C19H15ClFNO3S2/c20-14-5-3-13(4-6-14)19(23)22-12-18(17-2-1-11-26-17)27(24,25)16-9-7-15(21)8-10-16/h1-11,18H,12H2,(H,22,23)
InChiKey: PXVGLAKVXKUBOP-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

4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-(2-thienyl)ethyl]benzamide
4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-yl-ethyl]benzamide

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
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0129	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0046	0.0114
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0129	0.032
Onchocerca volvulus		0.0031	0.0196	0.0174
Mycobacterium ulcerans	oxidoreductase	0.0031	0.0196	0.0378
Onchocerca volvulus		0.0031	0.0196	0.0174
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0129	0.0619
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0129	0.0118
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0129	0.0619
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0089	0.0948	0.2357
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0196	0.0488
Onchocerca volvulus		0.0031	0.0196	0.0174
Trypanosoma cruzi	aldo/keto reductase, putative	0.0031	0.0196	0.0488
Brugia malayi	Coelomocyte uptake defective protein 5	0.0064	0.0622	0.1546
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0129	0.0319
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0129	0.0208
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0025	0.0124	0.0197
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0129	0.0619
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0129	0.0319
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0129	0.032
Echinococcus granulosus	aldo keto reductase	0.0031	0.0196	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0429	0.1066
Schistosoma mansoni	hypothetical protein	0.0165	0.1933	0.4806
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0327	0.4022	1
Mycobacterium leprae	conserved hypothetical protein	0.0025	0.0124	0.0107
Leishmania major	phosphopantetheinyl transferase-like protein	0.0025	0.0124	0.0308
Trichomonas vaginalis	conserved hypothetical protein	0.0156	0.1809	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0033	0.008
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0025	0.0124	1
Schistosoma mansoni	mucolipin	0.0064	0.0622	0.1546
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0429	0.1066
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0129	0.0319
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0129	0.032
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0196	0.0488
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0129	0.0118
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0196	0.0488
Echinococcus granulosus	mucolipin 3	0.0064	0.0622	0.1546
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0046	0.0114
Brugia malayi	isocitrate dehydrogenase	0.0015	0	0.0001
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0089	0.0948	0.0948
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0327	0.4022	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0196	0.0488
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0	0.0001
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0196	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0948	0.2357
Brugia malayi	Isocitrate dehydrogenase	0.0015	0	0.0001
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0156	0.1809	0.4498
Echinococcus granulosus	aldo keto reductase	0.0031	0.0196	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0196	0.0488
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0196	0.0196
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0031	0.0196	0.0488
Echinococcus granulosus	thymidylate synthase	0.0327	0.4022	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0129	0.0208
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0327	0.4022	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0046	0.0113
Echinococcus multilocularis	geminin	0.0165	0.1933	0.1933
Schistosoma mansoni	hypothetical protein	0.0033	0.023	0.0572
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0196	0.0196
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0327	0.4022	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0129	0.032
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0196	0.0488
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0033	0.008
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0196	0.0488
Echinococcus granulosus	hypothetical protein	0.0031	0.0196	0.0488
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0196	0.0196
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0196	0.0488
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0025	0.0124	0.0308
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0429	0.1066
Brugia malayi	thymidylate synthase	0.0327	0.4022	1
Echinococcus granulosus	geminin	0.0165	0.1933	0.4806
Onchocerca volvulus		0.0327	0.4022	1
Loa Loa (eye worm)	mucolipin 1	0.0064	0.0622	0.1546
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0	0.0001
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.023	0.0572
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0129	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0129	0.032
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0129	0.0319
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0025	0.0124	0.0308
Echinococcus granulosus	aldehyde reductase	0.0022	0.0082	0.0204
Onchocerca volvulus		0.0089	0.0948	0.2105
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0031	0.0196	0.0488
Onchocerca volvulus		0.0031	0.0196	0.0174
Schistosoma mansoni	pol-related	0.0031	0.0196	0.0488
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0025	0.0124	0.0308
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0196	0.0196
Mycobacterium tuberculosis	Probable oxidoreductase	0.0031	0.0196	0.0488
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0129	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0046	0.0114
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0033	0.008
Echinococcus multilocularis	mucolipin 3	0.0064	0.0622	0.0622
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0196	0.0488
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0327	0.4022	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0129	0.0208
Giardia lamblia	Aldose reductase	0.0031	0.0196	0.5
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0196	0.0196
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0196	0.0488
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0196	1
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0196	0.0196
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0196	0.0488
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0196	0.0196
Schistosoma mansoni	aldo-keto reductase	0.0031	0.0196	0.0488
Toxoplasma gondii	aldose reductase, putative	0.0031	0.0196	0.0488
Mycobacterium ulcerans	thymidylate synthase	0.0327	0.4022	1
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0196	0.0488
Loa Loa (eye worm)	thymidylate synthase	0.0327	0.4022	1
Schistosoma mansoni	mucolipin	0.0058	0.0553	0.1376
Schistosoma mansoni	aldo-keto reductase	0.0031	0.0196	0.0488
Onchocerca volvulus		0.0031	0.0196	0.0174
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0025	0.0124	0.0308
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0025	0.0124	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0033	0.023	0.0572
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0196	0.0196
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0196	1
Trypanosoma brucei	prostaglandin f synthase	0.0031	0.0196	0.0488
Leishmania major	prostaglandin f synthase, putative	0.0031	0.0196	0.0488
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0046	0.0113
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0196	0.0196
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0196	0.0488
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0129	0.0208
Echinococcus multilocularis	aldehyde reductase	0.0022	0.0082	0.0082
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0196	0.0488
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0129	0.0319
Trypanosoma cruzi	aldo-keto reductase	0.0031	0.0196	0.0488
Onchocerca volvulus		0.0031	0.0196	0.0174
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0025	0.0124	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0129	0.032
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0327	0.4022	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0196	0.0488
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0129	0.0208
Giardia lamblia	Aldose reductase	0.0031	0.0196	0.5
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0046	0.0113
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0196	0.0196
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0031	0.0196	0.029
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0196	0.0488
Schistosoma mansoni	hypothetical protein	0.0165	0.1933	0.4806
Brugia malayi	hypothetical protein	0.0156	0.1809	0.4499
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0327	0.4022	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0196	0.0196
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0	0.0001
Trypanosoma brucei	aldo-keto reductase, putative	0.0031	0.0196	0.0488
Echinococcus granulosus	aldo keto reductase	0.0031	0.0196	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0046	0.0114
Echinococcus multilocularis	thymidylate synthase	0.0327	0.4022	0.4022
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0196	0.0196
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0033	0.008
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0327	0.4022	1
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0025	0.0124	0.5
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0196	0.0488
Mycobacterium tuberculosis	Hypothetical protein	0.0156	0.1809	0.4498
Leishmania major	aldo-keto reductase-like protein	0.0031	0.0196	0.0488
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0025	0.0124	0.0308
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0196	0.0196
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0327	0.4022	1
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0196	0.0488
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0429	0.1066
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0196	0.0196
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0089	0.0948	0.2357
Echinococcus granulosus	L aminoadipate semialdehyde	0.0089	0.0948	0.2357
Trypanosoma brucei	hypothetical protein, conserved	0.0025	0.0124	0.0308
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0196	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0046	0.0114
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0196	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.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 705286