TDR Targets

Basic information

Technical information

TDR Targets ID: 846285
Name: 3-(4-chlorophenyl)sulfonyl-4-(4-ethylpiperazi n-1-yl)-6-methylquinoline
MW: 429.963 | Formula: C22H24ClN3O2S
H donors: 0 H acceptors: 3 LogP: 4.28 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCN1CCN(CC1)c1c2cc(C)ccc2ncc1S(=O)(=O)c1ccc(cc1)Cl
InChi: 1S/C22H24ClN3O2S/c1-3-25-10-12-26(13-11-25)22-19-14-16(2)4-9-20(19)24-15-21(22)29(27,28)18-7-5-17(23)6-8-18/h4-9,14-15H,3,10-13H2,1-2H3
InChiKey: NRBXWZBFXYHDGD-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

3-(4-chlorophenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methyl-quinoline
3-(4-chlorophenyl)sulfonyl-4-(4-ethyl-1-piperazinyl)-6-methylquinoline

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
Onchocerca volvulus		0.0254	0.7528	1
Loa Loa (eye worm)	hypothetical protein	0.0254	0.7528	0.7528
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0327	1	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0165	0.0088
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0165	0.0088
Onchocerca volvulus		0.0036	0.0165	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0165	0.0165
Mycobacterium ulcerans	lipase LipD	0.0036	0.0165	0.0343
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0165	0.0088
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0165	0.0343
Loa Loa (eye worm)	hypothetical protein	0.02	0.5721	0.5721
Loa Loa (eye worm)	animal heme peroxidase	0.0254	0.7528	0.7528
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0108	0.0108
Echinococcus multilocularis	peroxidasin	0.0254	0.7528	0.7528
Echinococcus granulosus	BC026374 protein S09 family	0.0034	0.0108	0.0108
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0165	0.0088
Onchocerca volvulus	Peroxidasin homolog	0.0254	0.7528	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0165	0.0088
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0165	0.0088
Schistosoma mansoni	peptidase Clp (S14 family)	0.0083	0.177	0.177
Schistosoma mansoni	hypothetical protein	0.0179	0.4989	0.4989
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0083	0.177	0.177
Toxoplasma gondii	ABC1 family protein	0.0036	0.0165	0.0931
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0165	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0165	0.0165
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0165	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0165	0.0088
Loa Loa (eye worm)	carboxylesterase	0.0034	0.0108	0.0108
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0165	0.0343
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0034	0.0108	0.0108
Onchocerca volvulus	Dual oxidase homolog	0.0254	0.7528	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0165	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0254	0.7528	0.7528
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0108	0.0108
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0606	0.0606
Echinococcus granulosus	tar DNA binding protein	0.0067	0.1237	0.1237
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0083	0.177	1
Brugia malayi	Carboxylesterase family protein	0.0034	0.0108	0.0143
Brugia malayi	beta-lactamase family protein	0.0036	0.0165	0.0219
Schistosoma mansoni	hypothetical protein	0.0327	1	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0083	0.177	1
Brugia malayi	Carboxylesterase family protein	0.0034	0.0108	0.0143
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0034	0.0108	0.0108
Schistosoma mansoni	BC026374 protein (S09 family)	0.0034	0.0108	0.0108
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0083	0.177	1
Echinococcus multilocularis	acetylcholinesterase	0.02	0.5721	0.5721
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0606	0.0606
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0054	0.0804	0.3982
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0108	0.0108
Echinococcus multilocularis	neuroligin	0.0034	0.0108	0.0108
Schistosoma mansoni	peroxidasin	0.0254	0.7528	0.7528
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0108	0.0108
Schistosoma mansoni	gliotactin	0.0034	0.0108	0.0108
Brugia malayi	Animal haem peroxidase family protein	0.0254	0.7528	1
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0165	0.0165
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0165	1
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0165	0.0088
Onchocerca volvulus		0.0036	0.0165	0.0077
Onchocerca volvulus		0.0254	0.7528	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1237	0.1237
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.1237	0.1237
Brugia malayi	RNA, U transporter 1	0.0087	0.1906	0.2531
Leishmania major	hypothetical protein, conserved	0.0036	0.0165	0.5
Schistosoma mansoni	hypothetical protein	0.0179	0.4989	0.4989
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.1237	0.1237
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0165	0.0343
Brugia malayi	Animal haem peroxidase family protein	0.0254	0.7528	1
Brugia malayi	Animal haem peroxidase family protein	0.0254	0.7528	1
Loa Loa (eye worm)	hypothetical protein	0.0254	0.7528	0.7528
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0165	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0034	0.0108	0.0108
Brugia malayi	Animal haem peroxidase family protein	0.0254	0.7528	1
Schistosoma mansoni	peroxidasin	0.0254	0.7528	0.7528
Loa Loa (eye worm)	hypothetical protein	0.0254	0.7528	0.7528
Onchocerca volvulus		0.0254	0.7528	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0165	0.0165
Echinococcus granulosus	para nitrobenzyl esterase	0.0034	0.0108	0.0108
Brugia malayi	hypothetical protein	0.0034	0.0108	0.0143
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0054	0.0804	0.0804
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0165	0.0165
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0606	0.0606
Brugia malayi	Carboxylesterase family protein	0.02	0.5721	0.76
Brugia malayi	Carboxylesterase family protein	0.02	0.5721	0.76
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0165	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0083	0.177	1
Brugia malayi	RNA binding protein	0.0067	0.1237	0.1643
Loa Loa (eye worm)	animal heme peroxidase	0.0254	0.7528	0.7528
Brugia malayi	Animal haem peroxidase family protein	0.0254	0.7528	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0165	0.0165
Onchocerca volvulus	Peroxidasin homolog	0.0254	0.7528	1
Loa Loa (eye worm)	hypothetical protein	0.0254	0.7528	0.7528
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0083	0.177	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0606	0.0606
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0034	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0254	0.7528	0.7528
Loa Loa (eye worm)	hypothetical protein	0.0254	0.7528	0.7528
Schistosoma mansoni	acetylcholinesterase	0.0034	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0108	0.0108
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.02	0.5721	0.5721
Loa Loa (eye worm)	hypothetical protein	0.02	0.5721	0.5721
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0606	0.0606
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1237	0.1237
Brugia malayi	beta-lactamase family protein	0.0036	0.0165	0.0219
Brugia malayi	Blistered cuticle protein 3	0.0254	0.7528	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0054	0.0804	0.1068
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0083	0.177	1
Brugia malayi	beta-lactamase	0.0036	0.0165	0.0219
Brugia malayi	hypothetical protein	0.0254	0.7528	1
Trichomonas vaginalis	esterase, putative	0.0036	0.0165	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0034	0.0108	0.0108
Brugia malayi	TAR-binding protein	0.0067	0.1237	0.1643
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0083	0.177	0.177
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0165	0.0165
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0034	0.0108	0.0108
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0606	0.0606
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0083	0.177	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0165	0.0165
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0165	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0606	0.0606
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0034	0.0108	0.0108
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0165	0.0088
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0165	0.0165
Loa Loa (eye worm)	acetylcholinesterase 1	0.02	0.5721	0.5721
Onchocerca volvulus	Peroxidase homolog	0.0254	0.7528	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0165	0.0165
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0034	0.0108	0.0108
Loa Loa (eye worm)	carboxylesterase	0.0034	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0254	0.7528	0.7528
Echinococcus granulosus	peptidase Clp S14 family	0.0054	0.0804	0.0804
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.1237	0.1643
Loa Loa (eye worm)	hypothetical protein	0.0254	0.7528	0.7528
Echinococcus granulosus	acetylcholinesterase	0.02	0.5721	0.5721
Brugia malayi	Peroxidasin	0.0254	0.7528	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.177	0.177
Onchocerca volvulus	Chorion peroxidase homolog	0.0254	0.7528	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0054	0.0804	0.1068
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0083	0.177	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0227	0.6623	1
Brugia malayi	Probable ClpP-like protease	0.0083	0.177	0.2351
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.1237	0.1237
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0606	0.0805
Loa Loa (eye worm)	hypothetical protein	0.0254	0.7528	0.7528
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0083	0.177	1
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0083	0.177	0.5
Echinococcus multilocularis	geminin	0.0179	0.4989	0.4989
Onchocerca volvulus	Peroxidase homolog	0.0254	0.7528	1
Echinococcus granulosus	neuroligin	0.0034	0.0108	0.0108
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0165	0.0931
Loa Loa (eye worm)	hypothetical protein	0.0254	0.7528	0.7528
Onchocerca volvulus		0.0036	0.0165	0.0077
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1237	0.1237
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0254	0.7528	0.7528
Echinococcus granulosus	acetylcholinesterase	0.02	0.5721	0.5721
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0165	0.0088
Loa Loa (eye worm)	carboxylesterase	0.02	0.5721	0.5721
Brugia malayi	Carboxylesterase family protein	0.0034	0.0108	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0254	0.7528	0.7528
Loa Loa (eye worm)	hypothetical protein	0.0254	0.7528	0.7528
Brugia malayi	Carboxylesterase family protein	0.0034	0.0108	0.0143
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1237	0.1237
Loa Loa (eye worm)	RNA binding protein	0.0067	0.1237	0.1237
Echinococcus granulosus	peroxidasin	0.0254	0.7528	0.7528
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0108	0.0108
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0165	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0606	0.0606
Loa Loa (eye worm)	blistered cuticle protein 3	0.0254	0.7528	0.7528
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0165	0.0165
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0083	0.177	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0165	1
Echinococcus granulosus	carboxylesterase 5A	0.02	0.5721	0.5721
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0165	0.0165
Echinococcus multilocularis	acetylcholinesterase	0.02	0.5721	0.5721
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1237	0.1237
Echinococcus granulosus	geminin	0.0179	0.4989	0.4989
Echinococcus multilocularis	snurportin 1	0.0327	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0254	0.7528	0.7528
Loa Loa (eye worm)	animal heme peroxidase	0.0254	0.7528	0.7528
Echinococcus multilocularis	carboxylesterase 5A	0.02	0.5721	0.5721

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 846285