TDR Targets

Basic information

Technical information

TDR Targets ID: 725080
Name: 1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmet hyl)piperidine-3-carboxamide
MW: 403.495 | Formula: C20H25N3O4S
H donors: 1 H acceptors: 4 LogP: 1.64 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)NCc1ccccn1
InChi: 1S/C20H25N3O4S/c1-2-27-18-8-10-19(11-9-18)28(25,26)23-13-5-6-16(15-23)20(24)22-14-17-7-3-4-12-21-17/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,22,24)
InChiKey: MVVKKXZVDPIVLV-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-(4-ethoxyphenyl)sulfonyl-N-(2-pyridylmethyl)piperidine-3-carboxamide
1-(4-ethoxyphenyl)sulfonyl-N-(2-pyridylmethyl)-3-piperidinecarboxamide
1-(4-ethoxyphenyl)sulfonyl-N-(2-pyridylmethyl)nipecotamide
BAS 12636292

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
Entamoeba histolytica	hypothetical protein	0.004	0.0034	0.2382
Schistosoma mansoni	hypothetical protein	0.1222	0.2316	0.5339
Echinococcus multilocularis	survival motor neuron protein 1	0.0242	0.0423	0.0423
Plasmodium falciparum	circumsporozoite- and TRAP-related protein	0.0097	0.0143	0.5
Brugia malayi	hypothetical protein	0.0097	0.0143	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0143	0.0725
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0022	0	0.5
Plasmodium falciparum	von Willebrand factor A domain-related protein	0.0097	0.0143	0.5
Plasmodium vivax	thrombospondin-related anonymous protein	0.0097	0.0143	0.5
Plasmodium falciparum	thrombospondin-related anonymous protein	0.0097	0.0143	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0143	0.0725
Loa Loa (eye worm)	von Willebrand factor domain-containing protein	0.0097	0.0143	0.0725
Brugia malayi	hypothetical protein	0.0242	0.0423	0.214
Schistosoma mansoni	hypothetical protein	0.0097	0.0143	0.0331
Onchocerca volvulus		0.0097	0.0143	1
Brugia malayi	von Willebrand factor type A domain containing protein	0.0097	0.0143	0.0725
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.5201	1	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0143	0.0725
Brugia malayi	Zona pellucida-like domain containing protein	0.0097	0.0143	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0143	0.0725
Schistosoma mansoni	hypothetical protein	0.0049	0.0052	0.012
Entamoeba histolytica	hypothetical protein, conserved	0.0097	0.0143	1
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0097	0.0143	1
Entamoeba histolytica	elongation factor-2 kinase, putative	0.0097	0.0143	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0143	0.0725
Brugia malayi	von Willebrand factor type A domain containing protein	0.0097	0.0143	0.0725
Entamoeba histolytica	hypothetical protein	0.004	0.0034	0.2382
Brugia malayi	von Willebrand factor type A domain containing protein	0.0097	0.0143	0.0725
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0034	0.0034
Onchocerca volvulus		0.0097	0.0143	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0064	0.0323
Loa Loa (eye worm)	von Willebrand factor type A domain-containing protein	0.0097	0.0143	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0064	0.0323
Brugia malayi	Zona pellucida-like domain containing protein	0.0097	0.0143	0.0725
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0022	0	0.5
Onchocerca volvulus		0.0097	0.0143	1
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0052	0.012
Brugia malayi	von Willebrand factor type A domain containing protein	0.0097	0.0143	0.0725
Echinococcus granulosus	survival motor neuron protein 1	0.0242	0.0423	0.0423
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0022	0	0.5
Entamoeba histolytica	hypothetical protein	0.0097	0.0143	1
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0034	0.0079
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0242	0.0423	0.214
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0034	0.0034
Echinococcus multilocularis	collagen alpha 1(VII) chain	0.0097	0.0143	0.0143
Brugia malayi	von Willebrand Factor	0.0097	0.0143	0.0725
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.2366	0.4525	0.4525
Plasmodium vivax	dynein-related AAA-type ATPase, putative	0.0097	0.0143	0.5
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.1144	0.2166	0.4992
Brugia malayi	von Willebrand factor type A domain containing protein	0.0097	0.0143	0.0725
Treponema pallidum	methyl-accepting chemotaxis protein (mcp2-1)	0.4817	0.9258	1
Plasmodium vivax	circumsporozoite- and TRAP-related protein, putative	0.0097	0.0143	0.5
Toxoplasma gondii	microneme protein MIC2	0.0097	0.0143	1
Loa Loa (eye worm)	hypothetical protein	0.1047	0.1979	1
Onchocerca volvulus		0.0097	0.0143	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0143	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0143	0.0725
Schistosoma mansoni	hypothetical protein	0.004	0.0034	0.0079
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.2269	0.4338	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0143	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0143	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0038	0.003	0.0152
Loa Loa (eye worm)	CUTiclin family member	0.0097	0.0143	0.0725
Brugia malayi	von Willebrand factor type A domain containing protein	0.0097	0.0143	0.0725
Onchocerca volvulus		0.0097	0.0143	1
Entamoeba histolytica	hypothetical protein	0.004	0.0034	0.2382
Brugia malayi	von Willebrand factor type A domain containing protein	0.0097	0.0143	0.0725
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0097	0.0143	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0143	0.0725
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0064	0.0323
Echinococcus granulosus	voltage dependent calcium channel subunit	0.2366	0.4525	0.4525
Echinococcus granulosus	collagen alpha 1VII chain	0.0097	0.0143	0.0143
Schistosoma mansoni	hypothetical protein	0.0038	0.003	0.0069
Onchocerca volvulus		0.0097	0.0143	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0143	0.0725
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0064	0.0323
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.003	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0143	0.0725
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0052	0.0263
Plasmodium vivax	hypothetical protein, conserved	0.0097	0.0143	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0143	0.0725
Brugia malayi	Cache domain containing protein	0.1047	0.1979	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0022	0	0.5
Loa Loa (eye worm)	CUTiclin-Like family member	0.0097	0.0143	0.0725
Brugia malayi	hypothetical protein	0.004	0.0034	0.0173
Entamoeba histolytica	hypothetical protein, conserved	0.0097	0.0143	1
Schistosoma mansoni	serine-rich repeat protein	0.1222	0.2316	0.5339
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0143	0.0725
Toxoplasma gondii	von Willebrand factor type A domain-containing protein	0.0097	0.0143	1
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0097	0.0143	0.0725
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0022	0	0.5
Onchocerca volvulus		0.0097	0.0143	1
Entamoeba histolytica	hypothetical protein	0.004	0.0034	0.2382
Brugia malayi	von Willebrand factor type A domain containing protein	0.0097	0.0143	0.0725
Plasmodium vivax	von Willebrand factor A domain-related protein, putative	0.0097	0.0143	0.5
Schistosoma mansoni	hypothetical protein	0.0097	0.0143	0.0331

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.6234 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1866408
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 725080