TDR Targets

Basic information

Technical information

TDR Targets ID: 846241
Name: 6-ethoxy-3-phenylsulfonyl-4-piperidin-1-ylqui noline
MW: 396.503 | Formula: C22H24N2O3S
H donors: 0 H acceptors: 3 LogP: 4.29 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc2c(c1)c(N1CCCCC1)c(cn2)S(=O)(=O)c1ccccc1
InChi: 1S/C22H24N2O3S/c1-2-27-17-11-12-20-19(15-17)22(24-13-7-4-8-14-24)21(16-23-20)28(25,26)18-9-5-3-6-10-18/h3,5-6,9-12,15-16H,2,4,7-8,13-14H2,1H3
InChiKey: JFVRZLZFHLUCTQ-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

6-ethoxy-3-phenylsulfonyl-4-(1-piperidyl)quinoline
6-ethoxy-3-phenylsulfonyl-4-piperidino-quinoline
6-ethoxy-3-phenylsulfonyl-4-piperidin-1-yl-quinoline

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
Echinococcus multilocularis	geminin	0.0188	0.1521	0.1655
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.0984	0.8659	1
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0984	0.8247
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0069	0.006
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0069	0.008
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0239	0.1973	0.2279
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	0.0033	0.0128	0.1742
Echinococcus granulosus	Niemann Pick C1 protein	0.0156	0.1235	0.774
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0084	0.2276
Toxoplasma gondii	hypothetical protein	0.0056	0.0337	1
Trichomonas vaginalis	conserved hypothetical protein	0.1134	1	1
Schistosoma mansoni	patched 1	0.0047	0.0254	0.0072
Echinococcus granulosus	Niemann Pick C1 protein	0.0109	0.0814	0.4418
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0069	0.006
Echinococcus granulosus	carbonic anhydrase	0.0056	0.0337	0.0658
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0084	0.2276
Schistosoma mansoni	hypothetical protein	0.0056	0.0337	0.0467
Echinococcus multilocularis	carbonic anhydrase	0.0056	0.0337	0.0109
Onchocerca volvulus		0.0051	0.0287	0.1344
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0337	0.2774
Brugia malayi	Niemann-Pick C1 protein precursor	0.0109	0.0814	0.6636
Schistosoma mansoni	hypothetical protein	0.0188	0.1521	0.6077
Schistosoma mansoni	carbonic anhydrase-related	0.0056	0.0337	0.0467
Echinococcus multilocularis	carbonic anhydrase	0.0056	0.0337	0.0109
Echinococcus multilocularis	Niemann Pick C1 protein	0.0109	0.0814	0.0731
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0069	0.006
Mycobacterium ulcerans	putative regulatory protein	0.005	0.0281	0.0272
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0151	0.1191	1
Schistosoma mansoni	carbonic anhydrase-related	0.0056	0.0337	0.0467
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0289	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0337	0.2774
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0289	0.0275
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0056	0.0337	0.239
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0069	0.0505
Brugia malayi	CHE-14 protein	0.0047	0.0254	0.1646
Schistosoma mansoni	carbonic anhydrase	0.0056	0.0337	0.0467
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0146	0.1141	0.1159
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0151	0.1191	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0289	0.0275
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0033	0.0128	0.0399
Mycobacterium ulcerans	carbonic anhydrase	0.0281	0.2348	0.2341
Echinococcus multilocularis	transfer RNA-Lys	0.005	0.0281	0.0036
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0056	0.0337	0.239
Schistosoma mansoni	hypothetical protein	0.0188	0.1521	0.6077
Loa Loa (eye worm)	transcription factor SMAD2	0.0133	0.1022	0.8571
Plasmodium falciparum	inorganic anion exchanger, inorganic anion antiporter	0.0033	0.0128	0.3622
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0069	0.0505
Echinococcus granulosus	single minded 2	0.005	0.0281	0.0217
Echinococcus multilocularis	protein dispatched 1	0.0054	0.0313	0.0078
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0111	0.0829	0.2797
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0289	0.0045
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0289	0.0237
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0289	0.0237
Echinococcus granulosus	carbonic anhydrase	0.0056	0.0337	0.0658
Brugia malayi	aryl hydrocarbon receptor AHR-1	0.0128	0.0979	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0084	0.0632
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0033	0.0128	0.0399
Brugia malayi	PAS domain containing protein	0.0068	0.0439	0.3294
Echinococcus granulosus	aryl hydrocarbon receptor	0.0146	0.1141	0.7004
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0814	0.6806
Brugia malayi	MH2 domain containing protein	0.0133	0.1022	0.8495
Echinococcus multilocularis	Niemann Pick C1 protein	0.0156	0.1235	0.1281
Plasmodium vivax	sulfate transporter, putative	0.0033	0.0128	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0349	0.287
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0069	0.008
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0254	0.2068
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.001	0.0011
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0069	0.006
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0033	0.0128	0.0119
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0151	0.1191	0.4514
Entamoeba histolytica	carbonic anhydrase, putative	0.0281	0.2348	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0901	0.7909	1
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.0281	0.2348	1
Echinococcus multilocularis	carbonic anhydrase II	0.0151	0.1191	0.1224
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0069	0.006
Trypanosoma brucei	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0033	0.0128	0.0399
Brugia malayi	bHLH-PAS transcription factor	0.005	0.0281	0.1891
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0056	0.0337	0.2774
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0069	0.006
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0056	0.0337	0.239
Trichomonas vaginalis	conserved hypothetical protein	0.1134	1	1
Echinococcus granulosus	geminin	0.0188	0.1521	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0056	0.0337	0.239
Onchocerca volvulus		0.0207	0.1686	1
Mycobacterium leprae	Probable transmembrane transport protein	0.0239	0.1973	0.8354
Echinococcus multilocularis	carbonic anhydrase	0.0056	0.0337	0.0109
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0151	0.1191	1
Echinococcus granulosus	expressed conserved protein	0.0103	0.0754	0.3949
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0069	0.006
Onchocerca volvulus		0.0145	0.1136	0.6598
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0131	0.1007	0.1163
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0151	0.1191	0.4514
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0979	0.8202
Echinococcus granulosus	carbonic anhydrase	0.0056	0.0337	0.0658
Loa Loa (eye worm)	MH2 domain-containing protein	0.0133	0.1022	0.8571
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0033	0.0128	0.0119
Chlamydia trachomatis	sulfate transporter	0.0033	0.0128	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0337	0.2774
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0084	0.6285
Loa Loa (eye worm)	hypothetical protein	0.0145	0.1136	0.9535
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0069	0.0505
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0388	0.3315	0.3828
Mycobacterium ulcerans	integral membrane transporter	0.0033	0.0128	0.0119
Schistosoma mansoni	aryl hydrocarbon receptor	0.0196	0.159	0.6403
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0109	0.0814	0.3266
Schistosoma mansoni	carbonic anhydrase	0.0281	0.2348	1
Schistosoma mansoni	single-minded	0.0068	0.0439	0.0948
Schistosoma mansoni	carbonic anhydrase-related	0.0056	0.0337	0.0467
Brugia malayi	hypothetical protein	0.0028	0.0084	0.0133
Plasmodium falciparum	carbonic anhydrase	0.0056	0.0337	1
Loa Loa (eye worm)	carbonic anhydrase 3	0.0151	0.1191	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0289	0.1956
Leishmania major	carbonic anhydrase-like protein	0.0151	0.1191	0.4922
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0069	0.006
Leishmania major	carbonic anhydrase family protein, putative	0.0281	0.2348	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0056	0.0337	0.239
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0151	0.1191	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0289	0.2363
Echinococcus multilocularis	expressed conserved protein	0.0103	0.0754	0.0654
Trypanosoma brucei	carbonic anhydrase-like protein	0.0151	0.1191	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0289	0.0237
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0151	0.1191	1
Echinococcus granulosus	carbonic anhydrase II	0.0151	0.1191	0.7397
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0047	0.0254	0.2068
Leishmania major	hypothetical protein, conserved	0.0028	0.0084	0.0065
Onchocerca volvulus	Putative sulfate transporter	0.0207	0.1686	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 846241