TDR Targets

Basic information

Technical information

TDR Targets ID: 791525
Name: ethyl 1-(4,5-dicyano-2-nitrophenyl)piperidine -4-carboxylate
MW: 328.323 | Formula: C16H16N4O4
H donors: 0 H acceptors: 5 LogP: 2.02 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1CCN(CC1)c1cc(C#N)c(cc1[N+](=O)[O-])C#N
InChi: 1S/C16H16N4O4/c1-2-24-16(21)11-3-5-19(6-4-11)14-7-12(9-17)13(10-18)8-15(14)20(22)23/h7-8,11H,2-6H2,1H3
InChiKey: UEBWYTZROPBFMU-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

ethyl 1-(4,5-dicyano-2-nitro-phenyl)piperidine-4-carboxylate
1-(4,5-dicyano-2-nitrophenyl)-4-piperidinecarboxylic acid ethyl ester
1-(4,5-dicyano-2-nitro-phenyl)isonipecotic acid ethyl ester
A3650/0154871
ZINC04629031

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
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0045	0.0281	0.4171
Brugia malayi	hypothetical protein	0.0076	0.0655	0.1283
Plasmodium vivax	hypothetical protein, conserved	0.0076	0.0655	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0076	0.0655	0.1283
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0655	0.1283
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0144	0.0144
Onchocerca volvulus		0.0448	0.5105	1
Echinococcus multilocularis	microtubule associated protein 2	0.0729	0.8472	0.8472
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0076	0.0655	0.1283
Loa Loa (eye worm)	hypothetical protein	0.003	0.011	0.0215
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0152	0.1568	0.185
Echinococcus granulosus	GPCR family 2	0.0033	0.0144	0.017
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.011	1
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0022	0.0013	0.0026
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0076	0.0655	0.1283
Toxoplasma gondii	hypothetical protein	0.0076	0.0655	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0076	0.0655	0.0773
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0144	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0144	0.0282
Brugia malayi	Cytochrome P450 family protein	0.0028	0.0076	0.0149
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0076	0.0655	1
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0076	0.0655	0.0655
Echinococcus granulosus	tumor protein p63	0.0357	0.4018	0.4743
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.011	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0045	0.0281	0.4171
Schistosoma mansoni	hypothetical protein	0.0033	0.0144	0.017
Entamoeba histolytica	acetyltransferase, GNAT family	0.0041	0.0236	1
Echinococcus multilocularis	tumor protein p63	0.0357	0.4018	0.4018
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0144	0.017
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0448	0.5105	1
Echinococcus multilocularis	serotonin transporter	0.0448	0.5105	0.5105
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0076	0.0655	0.0655
Echinococcus granulosus	sodium and chloride dependent glycine	0.0076	0.0655	0.0773
Plasmodium falciparum	importin beta, putative	0.003	0.011	0.1501
Echinococcus granulosus	sodium and chloride dependent glycine	0.0076	0.0655	0.0773
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0371	0.0726
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0076	0.0655	0.0773
Schistosoma mansoni	hypothetical protein	0.0072	0.0607	0.0717
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0152	0.1568	0.1568
Onchocerca volvulus		0.0076	0.0655	0.1283
Loa Loa (eye worm)	acetyltransferase	0.0152	0.1568	0.3071
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0045	0.0281	0.0332
Loa Loa (eye worm)	hypothetical protein	0.016	0.1656	0.3244
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0076	0.0655	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0105	0.1006	0.197
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0448	0.5105	0.6026
Loa Loa (eye worm)	serotonin transporter b	0.0448	0.5105	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0148	0.1517	0.179
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0076	0.0655	0.1283
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0655	0.1283
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0076	0.0655	0.0773
Plasmodium vivax	amine transporter, putative	0.0076	0.0655	1
Plasmodium falciparum	amino acid transporter, putative	0.0076	0.0655	1
Echinococcus multilocularis	importin subunit beta 1	0.003	0.011	0.011
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0076	0.0655	0.0655
Brugia malayi	RNA, U transporter 1	0.0087	0.0782	0.1532
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0076	0.0655	0.0773
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0041	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.0076	0.0149
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0076	0.0655	0.0773
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0076	0.0655	0.0773
Plasmodium falciparum	histone acetyltransferase GCN5	0.0041	0.0236	0.3475
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0076	0.0655	0.1283
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0045	0.0281	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0022	0.0013	0.0026
Schistosoma mansoni	microtubule-associated protein tau	0.0729	0.8472	1
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0076	0.0655	0.0773
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0041	1
Toxoplasma gondii	hypothetical protein	0.0076	0.0655	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0448	0.5105	0.6026
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0607	0.1189
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0655	0.1283
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0655	0.1283
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0045	0.0281	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0655	0.1283
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0144	0.017
Entamoeba histolytica	hypothetical protein	0.0025	0.0041	0.1225
Schistosoma mansoni	importin beta-1	0.003	0.011	0.013
Echinococcus granulosus	importin subunit beta 1	0.003	0.011	0.013
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0076	0.0655	0.0773
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0655	0.1283
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.0607	0.1189
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0076	0.0655	0.0655
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0144	0.0282
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0022	0.0013	0.0016
Plasmodium falciparum	transporter, putative	0.0076	0.0655	1
Onchocerca volvulus		0.0076	0.0655	0.1283
Schistosoma mansoni	hypothetical protein	0.0178	0.1876	0.2214
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0041	0.1021
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0655	0.1283
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0076	0.0655	0.0773
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0076	0.0655	0.0773
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0041	0.1021
Schistosoma mansoni	sodium/chloride dependent transporter	0.0076	0.0655	0.0773
Echinococcus granulosus	microtubule associated protein 2	0.0729	0.8472	1
Echinococcus granulosus	snurportin 1	0.0325	0.3638	0.4294
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0076	0.0655	0.0773
Treponema pallidum	sodium- and chloride- dependent transporter	0.0448	0.5105	0.5
Schistosoma mansoni	hypothetical protein	0.0178	0.1876	0.2214
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0144	0.0282
Schistosoma mansoni	ran	0.0022	0.0013	0.0016
Plasmodium vivax	importin-beta 2, putative	0.003	0.011	0.1501
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0076	0.0655	0.0773
Echinococcus multilocularis	snurportin 1	0.0325	0.3638	0.3638
Onchocerca volvulus		0.016	0.1656	0.3244
Echinococcus granulosus	serotonin transporter	0.0448	0.5105	0.6026
Onchocerca volvulus		0.0076	0.0655	0.1283
Loa Loa (eye worm)	hypothetical protein	0.0448	0.5105	1
Onchocerca volvulus		0.0052	0.0371	0.0726
Schistosoma mansoni	ran	0.0022	0.0013	0.0016
Schistosoma mansoni	hypothetical protein	0.0033	0.0144	0.017
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0076	0.0655	0.1283
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1006	0.197
Brugia malayi	Importin beta-1 subunit	0.003	0.011	0.0215
Schistosoma mansoni	hypothetical protein	0.0325	0.3638	0.4294
Loa Loa (eye worm)	hypothetical protein	0.0448	0.5105	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0105	0.1006	0.197
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0144	0.0144
Brugia malayi	acetyltransferase, GNAT family protein	0.0152	0.1568	0.3071
Echinococcus multilocularis	geminin	0.0178	0.1876	0.1876
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0076	0.0655	0.0655
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0448	0.5105	1
Giardia lamblia	Histone acetyltransferase GCN5	0.0041	0.0236	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0105	0.1006	0.197
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0045	0.0281	0.4171
Schistosoma mansoni	hypothetical protein	0.0033	0.0144	0.017
Echinococcus granulosus	geminin	0.0178	0.1876	0.2214
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0076	0.0655	0.0773
Schistosoma mansoni	hypothetical protein	0.0033	0.0144	0.017
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0022	0.0013	0.0013
Loa Loa (eye worm)	norepinephrine transporter	0.0448	0.5105	1
Brugia malayi	hypothetical protein	0.016	0.1656	0.3244
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0144	0.0282
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0076	0.0655	0.0773
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.011	0.1501
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0041	0.1021
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0325	0.3638	0.7125
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0076	0.0655	1
Schistosoma mansoni	cellular tumor antigen P53	0.0052	0.0371	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0448	0.5105	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0076	0.0655	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 791525