TDR Targets

Basic information

Technical information

TDR Targets ID: 905233
Name: 1-(3-cyanophenyl)sulfonyl-N,N-diethylpiperidi ne-3-carboxamide
MW: 349.448 | Formula: C17H23N3O3S
H donors: 0 H acceptors: 4 LogP: 1.48 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(=O)C1CCCN(C1)S(=O)(=O)c1cccc(c1)C#N)CC
InChi: 1S/C17H23N3O3S/c1-3-19(4-2)17(21)15-8-6-10-20(13-15)24(22,23)16-9-5-7-14(11-16)12-18/h5,7,9,11,15H,3-4,6,8,10,13H2,1-2H3
InChiKey: WUYOBVGKMNYLLX-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-(3-cyanophenyl)sulfonyl-N,N-diethyl-piperidine-3-carboxamide
1-(3-cyanophenyl)sulfonyl-N,N-diethyl-3-piperidinecarboxamide
1-(3-cyanophenyl)sulfonyl-N,N-diethyl-nipecotamide
Oprea1_837148

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
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0922	0.1114
Brugia malayi	TAR-binding protein	0.0061	0.1345	0.2141
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0099	0.2677	0.6001
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.1949	0.2553
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.2862	0.3377
Trichomonas vaginalis	phosphofructokinase, putative	0.0105	0.2891	0.3874
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0797	0.379
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0203	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0915	0.0727
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.2862	0.3377
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0797	0.379
Mycobacterium ulcerans	6-phosphofructokinase	0.0105	0.2891	1
Brugia malayi	Heterochromatin protein 1	0.0078	0.1949	0.3103
Schistosoma mansoni	serine/threonine protein kinase	0.0049	0.0922	0.1745
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.1345	0.1165
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0105	0.2891	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0099	0.2677	0.6001
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0489	0.0292
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0052	0.1006	0.1106
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0797	0.0607
Trichomonas vaginalis	phosphofructokinase, putative	0.0028	0.0186	0.0082
Onchocerca volvulus		0.0051	0.098	0.1069
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0049	0.0922	0.1803
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0066	0.1514	0.3179
Trichomonas vaginalis	phosphofructokinase, putative	0.0028	0.0186	0.0082
Onchocerca volvulus		0.0109	0.3026	0.3979
Trichomonas vaginalis	chromobox protein, putative	0.0052	0.1006	0.1232
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0489	0.0292
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0489	0.0779
Schistosoma mansoni	6-phosphofructokinase	0.0105	0.2891	0.6519
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1798	0.1628
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0797	0.1282
Echinococcus granulosus	Ankyrin repeat domain containing protein	0.0087	0.2249	0.7645
Brugia malayi	beta-lactamase family protein	0.0037	0.0489	0.0779
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0489	0.188
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.2862	0.3377
Brugia malayi	beta-lactamase family protein	0.0037	0.0489	0.0779
Giardia lamblia	Kinase, CMGC MAPK	0.0049	0.0922	1
Loa Loa (eye worm)	6-phosphofructokinase	0.0105	0.2891	0.2744
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0049	0.0922	0.1803
Schistosoma mansoni	lipoxygenase	0.0053	0.1067	0.2096
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0105	0.2891	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0049	0.0922	0.2955
Echinococcus granulosus	mitogen activated protein kinase 3	0.0049	0.0922	0.2777
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1345	0.2769
Brugia malayi	6-phosphofructokinase	0.0105	0.2891	0.4603
Schistosoma mansoni	chromobox protein	0.0078	0.1949	0.4235
Toxoplasma gondii	endonuclease IV APN	0.0074	0.1798	0.6472
Mycobacterium tuberculosis	Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase)	0.0074	0.1798	0.1862
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0797	0.0438
Onchocerca volvulus		0.0109	0.3026	0.3979
Trichomonas vaginalis	phosphofructokinase, putative	0.0105	0.2891	0.3874
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0797	0.2318
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0489	0.1066
Trichomonas vaginalis	esterase, putative	0.0037	0.0489	0.0507
Brugia malayi	glutathione reductase	0.0046	0.0797	0.1269
Trypanosoma brucei	protein kinase, putative	0.0049	0.0922	0.1803
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.3272	0.396
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.3272	0.396
Onchocerca volvulus		0.0037	0.0489	0.037
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.2862	0.3377
Brugia malayi	beta-lactamase	0.0037	0.0489	0.0779
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0915	0.1457
Echinococcus multilocularis	Ankyrin repeat domain containing protein	0.0087	0.2249	0.7613
Plasmodium falciparum	apurinic/apyrimidinic endonuclease Apn1, putative	0.0074	0.1798	1
Leishmania major	trypanothione reductase	0.0046	0.0797	0.1282
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0489	0.0292
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0797	0.0607
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0489	0.0695
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0066	0.1514	0.1943
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.3272	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0489	0.0507
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0028	0.0186	0.0082
Trichomonas vaginalis	phosphofructokinase, putative	0.0028	0.0186	0.0082
Trichomonas vaginalis	set domain proteins, putative	0.0229	0.726	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0915	0.1457
Loa Loa (eye worm)	RNA binding protein	0.0061	0.1345	0.1165
Mycobacterium tuberculosis	Probable reductase	0.0104	0.2862	0.3377
Toxoplasma gondii	ABC1 family protein	0.0037	0.0489	0.1217
Mycobacterium ulcerans	endonuclease IV	0.0074	0.1798	0.545
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1514	0.1338
Plasmodium vivax	SET domain protein, putative	0.0029	0.0203	0.0103
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0099	0.2677	0.6001
Brugia malayi	chromobox protein homolog 3	0.0049	0.0905	0.1441
Brugia malayi	Thioredoxin reductase	0.0046	0.0797	0.1269
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0053	0.1067	0.3216
Entamoeba histolytica	phosphofructokinase, putative	0.0105	0.2891	1
Loa Loa (eye worm)	hypothetical protein	0.0109	0.3026	0.2882
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0915	0.0727
Echinococcus granulosus	chromobox protein 1	0.0078	0.1949	0.6545
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0051	0.098	0.1886
Schistosoma mansoni	hypothetical protein	0.0034	0.0368	0.04
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0203	0.0137
Echinococcus multilocularis	mitogen activated protein kinase	0.0049	0.0922	0.2677
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0489	0.0507
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1345	0.2769
Loa Loa (eye worm)	phosphofructokinase	0.0105	0.2891	0.2744
Echinococcus granulosus	tar DNA binding protein	0.0061	0.1345	0.4327
Loa Loa (eye worm)	hypothetical protein	0.003	0.0229	0.0027
Brugia malayi	phosphofructokinase	0.0105	0.2891	0.4603
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0489	0.0292
Mycobacterium leprae	PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE)	0.0074	0.1798	0.4703
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0922	0.1114
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0797	0.2211
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0489	0.0292
Leishmania major	ATP-dependent phosphofructokinase	0.0105	0.2891	1
Brugia malayi	Pre-SET motif family protein	0.0029	0.0203	0.0323
Trypanosoma brucei	trypanothione reductase	0.0046	0.0797	0.1282
Trichomonas vaginalis	conserved hypothetical protein	0.0049	0.0905	0.109
Loa Loa (eye worm)	heterochromatin protein 1	0.0078	0.1949	0.1782
Brugia malayi	Melibiase family protein	0.0066	0.1514	0.241
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0489	0.0507
Schistosoma mansoni	6-phosphofructokinase	0.0105	0.2891	0.6519
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0104	0.2862	0.8526
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0489	0.0507
Echinococcus multilocularis	6 phosphofructokinase	0.0105	0.2891	1
Brugia malayi	DNA-(Apurinic or apyrimidinic site) lyase	0.0074	0.1798	0.2863
Trichomonas vaginalis	phosphofructokinase, putative	0.0105	0.2891	0.3874
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1345	0.2769
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.1345	0.2141
Brugia malayi	hypothetical protein	0.0109	0.3026	0.4819
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0201	0.628	0.6203
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.2862	0.3377
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0489	0.0292
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0053	0.1067	0.3309
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0368	0.0168
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0049	0.0922	0.1803
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0066	0.1514	0.3179
Trichomonas vaginalis	conserved hypothetical protein	0.0049	0.0905	0.109
Echinococcus granulosus	6 phosphofructokinase	0.0105	0.2891	1
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0922	0.1114
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0049	0.0922	0.1803
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0797	0.379
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0797	0.2453
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0049	0.0922	0.2677
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.1345	0.1165
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1345	0.2769
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.1345	0.4248
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0049	0.0922	0.1803
Loa Loa (eye worm)	6-phosphofructokinase	0.0105	0.2891	0.2744
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0922	0.1114
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0236	0.7517	1
Onchocerca volvulus		0.0037	0.0489	0.037
Trichomonas vaginalis	phosphofructokinase, putative	0.0028	0.0186	0.0082
Plasmodium vivax	apurinic/apyrimidinic endonuclease Apn1, putative	0.0074	0.1798	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0028	0.0186	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0905	0.0717
Brugia malayi	MAP kinase sur-1	0.0049	0.0922	0.1468
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0105	0.2891	0.8628
Onchocerca volvulus		0.0037	0.0489	0.037
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0049	0.0922	0.0734
Entamoeba histolytica	phosphofructokinase, putative	0.0105	0.2891	1
Echinococcus multilocularis	chromobox protein 1	0.0078	0.1949	0.6497
Trichomonas vaginalis	phosphofructokinase, putative	0.0028	0.0186	0.0082
Echinococcus granulosus	mitogen activated protein kinase	0.0049	0.0922	0.2777
Entamoeba histolytica	phosphofructokinase, putative	0.0105	0.2891	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0049	0.0922	0.1803
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0099	0.2677	0.9205
Schistosoma mansoni	multiple ankyrin repeats single kh domain protein	0.0087	0.2249	0.4963
Trichomonas vaginalis	chromobox protein, putative	0.0052	0.1006	0.1232
Plasmodium falciparum	glutathione reductase	0.0046	0.0797	0.379
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0489	0.0507
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0099	0.2677	0.9205
Echinococcus multilocularis	chromobox protein 1	0.0078	0.1949	0.6497
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0099	0.2677	0.6001
Chlamydia trachomatis	endonuclease IV	0.0074	0.1798	1
Brugia malayi	Pre-SET motif family protein	0.0201	0.628	1
Brugia malayi	M-phase phosphoprotein, mpp8	0.0109	0.3026	0.4819
Toxoplasma gondii	melibiase subfamily protein	0.0099	0.2677	1
Loa Loa (eye worm)	hypothetical protein	0.0109	0.3026	0.2882
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0368	0.0586
Schistosoma mansoni	multiple ankyrin repeats single kh domain protein	0.0087	0.2249	0.4963
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0489	0.0292
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0099	0.2677	0.9216
Brugia malayi	RNA binding protein	0.0061	0.1345	0.2141
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.1949	0.2553
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0105	0.2891	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0489	0.0695
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0489	0.0292
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0489	0.1188
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0105	0.2891	0.3417
Trichomonas vaginalis	phosphofructokinase, putative	0.0105	0.2891	0.3874
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1345	0.2769
Brugia malayi	6-phosphofructokinase	0.0105	0.2891	0.4603
Brugia malayi	hypothetical protein	0.0118	0.3335	0.531
Schistosoma mansoni	chromobox protein	0.0078	0.1949	0.4235
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0049	0.0905	0.0962
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0049	0.0922	0.1803
Echinococcus granulosus	chromobox protein 1	0.0078	0.1949	0.6545
Onchocerca volvulus		0.0229	0.726	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.3272	0.396

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 905233