TDR Targets

Basic information

Technical information

TDR Targets ID: 661183
Name: 4-chloro-N-[(4-methylphenyl)methyl]-N-(2-oxo- 2-piperidin-1-ylethyl)benzenesulfonamide
MW: 420.953 | Formula: C21H25ClN2O3S
H donors: 0 H acceptors: 3 LogP: 3.93 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)Cl)CC(=O)N1CCCCC1
InChi: 1S/C21H25ClN2O3S/c1-17-5-7-18(8-6-17)15-24(16-21(25)23-13-3-2-4-14-23)28(26,27)20-11-9-19(22)10-12-20/h5-12H,2-4,13-16H2,1H3
InChiKey: NVJDRTRAEXTHDC-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-[(4-methylphenyl)methyl]-N-[2-oxo-2-(1-piperidyl)ethyl]benzenesulfonamide
4-chloro-N-(2-keto-2-piperidino-ethyl)-N-(4-methylbenzyl)benzenesulfonamide
4-chloro-N-[(4-methylphenyl)methyl]-N-(2-oxo-2-piperidin-1-yl-ethyl)benzenesulfonamide
STK060464
ZINC04833555

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
Loa Loa (eye worm)	heterochromatin protein 1	0.0073	0.1185	0.1185
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0065	0.1009	0.1009
Schistosoma mansoni	chromobox protein	0.0073	0.1185	0.1185
Echinococcus granulosus	neuroligin	0.0076	0.1258	0.1258
Loa Loa (eye worm)	carboxylesterase	0.0076	0.1258	0.1258
Echinococcus multilocularis	acetylcholinesterase	0.0448	1	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1258	0.1258
Echinococcus granulosus	acetylcholinesterase	0.0448	1	1
Onchocerca volvulus		0.0076	0.1258	0.4103
Brugia malayi	Carboxylesterase family protein	0.0448	1	1
Brugia malayi	Carboxylesterase family protein	0.0076	0.1258	0.1258
Echinococcus granulosus	chromobox protein 1	0.0073	0.1185	0.1185
Echinococcus multilocularis	para nitrobenzyl esterase	0.0076	0.1258	0.1258
Trichomonas vaginalis	chromobox protein, putative	0.0073	0.1185	0.9337
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0065	0.1009	0.1009
Brugia malayi	Carboxylesterase family protein	0.0076	0.1258	0.1258
Onchocerca volvulus		0.0032	0.023	0.075
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.0509	0.3193
Onchocerca volvulus		0.0076	0.1258	0.4103
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0076	0.1258	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0076	0.1258	0.1258
Trichomonas vaginalis	spcc417.12 protein, putative	0.0076	0.1258	1
Echinococcus granulosus	acetylcholinesterase	0.0448	1	1
Echinococcus granulosus	BC026374 protein S09 family	0.0076	0.1258	0.1258
Brugia malayi	chromobox protein homolog 3	0.0041	0.0437	0.0437
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0076	0.1258	0.1258
Onchocerca volvulus		0.0076	0.1258	0.4103
Schistosoma mansoni	chromobox protein	0.0073	0.1185	0.1185
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0044	0.0509	0.166
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1258	0.1258
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1258	0.1258
Brugia malayi	Carboxylesterase family protein	0.0076	0.1258	0.1258
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1258	0.1258
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0437	0.1423
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.2484	0.2484
Brugia malayi	hypothetical protein	0.0153	0.3067	0.3067
Onchocerca volvulus		0.0076	0.1258	0.4103
Echinococcus granulosus	chromobox protein 1	0.0073	0.1185	0.1185
Echinococcus multilocularis	neuroligin	0.0076	0.1258	0.1258
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0076	0.1258	0.1258
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.1009	0.1009
Schistosoma mansoni	acetylcholinesterase	0.0076	0.1258	0.1258
Loa Loa (eye worm)	hypothetical protein	0.0448	1	1
Loa Loa (eye worm)	hypothetical protein	0.0153	0.3067	0.3067
Loa Loa (eye worm)	carboxylesterase	0.0448	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0076	0.1258	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0076	0.1258	1
Echinococcus multilocularis	acetylcholinesterase	0.0448	1	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0076	0.1258	1
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.0509	0.3193
Echinococcus granulosus	carboxylesterase 5A	0.0448	1	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1258	0.1258
Schistosoma mansoni	BC026374 protein (S09 family)	0.0076	0.1258	0.1258
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0076	0.1258	0.1258
Toxoplasma gondii	aldehyde dehydrogenase	0.0065	0.1009	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.1009	0.1009
Echinococcus multilocularis	carboxylesterase 5A	0.0448	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0448	1	1
Trichomonas vaginalis	chromobox protein, putative	0.0073	0.1185	0.9337
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0065	0.1009	0.5
Schistosoma mansoni	gliotactin	0.0076	0.1258	0.1258
Onchocerca volvulus		0.0076	0.1258	0.4103
Echinococcus multilocularis	chromobox protein 1	0.0073	0.1185	0.1185
Brugia malayi	MH2 domain containing protein	0.0128	0.2484	0.2484
Onchocerca volvulus		0.0153	0.3067	1
Brugia malayi	hypothetical protein	0.0076	0.1258	0.1258
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0076	0.1258	0.1258
Loa Loa (eye worm)	hypothetical protein	0.0032	0.023	0.023
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0076	0.1258	1
Loa Loa (eye worm)	carboxylesterase	0.0076	0.1258	0.1258
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0437	0.0437
Brugia malayi	Heterochromatin protein 1	0.0073	0.1185	0.1185
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0437	0.2534
Echinococcus multilocularis	chromobox protein 1	0.0073	0.1185	0.1185
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0076	0.1258	0.1258
Echinococcus granulosus	para nitrobenzyl esterase	0.0076	0.1258	0.1258
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1258	0.1258
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0437	0.2534
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0076	0.1258	0.1258
Loa Loa (eye worm)	acetylcholinesterase 1	0.0448	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.2484	0.2484
Brugia malayi	Carboxylesterase family protein	0.0076	0.1258	0.1258
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1258	0.1258
Loa Loa (eye worm)	hypothetical protein	0.0448	1	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 661183