TDR Targets

Basic information

Technical information

TDR Targets ID: 646444
Name: N-(2-ethoxyphenyl)-N'-(pyridin-4-ylmethyl)oxa mide
MW: 299.324 | Formula: C16H17N3O3
H donors: 2 H acceptors: 3 LogP: 1.57 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccccc1NC(=O)C(=O)NCc1ccncc1
InChi: 1S/C16H17N3O3/c1-2-22-14-6-4-3-5-13(14)19-16(21)15(20)18-11-12-7-9-17-10-8-12/h3-10H,2,11H2,1H3,(H,18,20)(H,19,21)
InChiKey: ZCLXGJFDGQPWHV-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

N-(2-ethoxyphenyl)-N'-(4-pyridylmethyl)oxamide
N-(2-ethoxyphenyl)-N'-(pyridin-4-ylmethyl)ethanediamide
BAS 02173930
N-(2-Ethoxy-phenyl)-N'-pyridin-4-ylmethyl-oxalamide
STK297088
CBMicro_002676
BIM-0002827.P001
ZINC02966609

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
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0084	0.2789	0.2985
Trypanosoma cruzi	trypanothione reductase, putative	0.0084	0.2789	1
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0033	0.0792	0.2696
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0029	0.0643	0.2151
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0192	0.6998	0.8813
Plasmodium falciparum	thioredoxin reductase	0.0084	0.2789	1
Echinococcus granulosus	pyruvate kinase	0.0017	0.0165	0.0588
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0192	0.6998	0.8837
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1848	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0214	0.7834	1
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0792	0.0695
Plasmodium vivax	thioredoxin reductase, putative	0.0084	0.2789	1
Echinococcus multilocularis	musashi	0.0026	0.0531	0.1892
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0531	0.1905
Plasmodium falciparum	thioredoxin reductase	0.0029	0.0643	0.182
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0792	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0192	0.6998	0.8837
Toxoplasma gondii	pyruvate kinase PyK1	0.0033	0.0792	0.2388
Trypanosoma brucei	pyruvate kinase 1	0.0033	0.0792	0.0695
Giardia lamblia	Pyruvate kinase	0.0033	0.0792	1
Echinococcus granulosus	lamin	0.0026	0.0531	0.1892
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0531	0.0372
Chlamydia trachomatis	pyruvate kinase	0.0033	0.0792	1
Entamoeba histolytica	pyruvate kinase, putative	0.0023	0.0402	0.5
Brugia malayi	glutathione reductase	0.0084	0.2789	1
Plasmodium vivax	glutathione reductase, putative	0.0084	0.2789	1
Echinococcus granulosus	intermediate filament protein	0.0026	0.0531	0.1892
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0029	0.0643	0.182
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.1848	0.6579
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.1848	0.1711
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0085	0.2809	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0792	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0192	0.6998	0.8837
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.1848	0.1676
Loa Loa (eye worm)	thioredoxin reductase	0.0084	0.2789	1
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0165	0.0588
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0029	0.0643	0.182
Leishmania major	trypanothione reductase	0.0084	0.2789	1
Trypanosoma brucei	trypanothione reductase	0.0084	0.2789	1
Plasmodium vivax	pyruvate kinase, putative	0.0033	0.0792	0.2388
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0792	1
Treponema pallidum	NADH oxidase	0.0029	0.0643	0.5
Schistosoma mansoni	pyruvate kinase	0.0033	0.0792	0.0637
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0029	0.0643	0.2288
Plasmodium falciparum	pyruvate kinase	0.0033	0.0792	0.2388
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1848	1
Echinococcus multilocularis	lamin dm0	0.0026	0.0531	0.1892
Loa Loa (eye worm)	glutathione reductase	0.0084	0.2789	1
Echinococcus granulosus	pyruvate kinase	0.0017	0.0165	0.0588
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0792	0.2839
Echinococcus granulosus	thioredoxin glutathione reductase	0.0085	0.2809	1
Plasmodium falciparum	glutathione reductase	0.0084	0.2789	1
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0792	0.0695
Echinococcus granulosus	pyruvate kinase	0.0033	0.0792	0.2819
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0792	0.2819
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0513	0.1837
Toxoplasma gondii	NADPH-glutathione reductase	0.0029	0.0643	0.182
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0165	0.0588
Plasmodium falciparum	glutathione reductase	0.0029	0.0643	0.182
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0192	0.6998	0.8837
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0214	0.7834	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0029	0.0643	0.182
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0029	0.0643	0.182
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0029	0.0643	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0531	0.1905
Schistosoma mansoni	lamin	0.0026	0.0531	0.0372
Brugia malayi	intermediate filament protein	0.0026	0.0531	0.1743
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0029	0.0643	0.2288
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0792	0.2839
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0029	0.0643	0.0486
Loa Loa (eye worm)	pyruvate kinase-PB	0.0023	0.0402	0.1442
Schistosoma mansoni	lamin	0.0026	0.0531	0.0372
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.1848	0.6579
Schistosoma mansoni	pyruvate kinase	0.0033	0.0792	0.0637
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0792	0.2839
Mycobacterium tuberculosis	Probable oxidoreductase	0.0214	0.7834	1
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0792	0.2839
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0192	0.6998	0.8837
Echinococcus multilocularis	pyruvate kinase	0.0026	0.0521	0.1854
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.1848	0.6412
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0055	0.0195
Mycobacterium tuberculosis	Probable reductase	0.0192	0.6998	0.8837
Echinococcus granulosus	lamin dm0	0.0026	0.0531	0.1892
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.1848	0.1711
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0792	1
Mycobacterium ulcerans	pyruvate kinase	0.0033	0.0792	0.1238
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0029	0.0643	0.182
Leishmania major	pyruvate kinase	0.0033	0.0792	0.0695
Echinococcus granulosus	pyruvate kinase	0.0017	0.0165	0.0588
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0021	0.0341	0.1046
Echinococcus granulosus	pyruvate kinase	0.0033	0.0792	0.2819
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1848	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0402	0.1442
Toxoplasma gondii	thioredoxin reductase	0.0084	0.2789	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0029	0.0643	0.5
Leishmania major	pyruvate kinase	0.0033	0.0792	0.0695
Echinococcus multilocularis	lamin	0.0026	0.0531	0.1892
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0792	1
Trypanosoma brucei	pyruvate kinase 1, putative	0.0033	0.0792	0.0695
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0165	0.0588
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0029	0.0643	0.762
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0531	0.1905
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.1848	0.5614
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0214	0.7834	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0021	0.0341	0.1046
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0531	0.1743
Brugia malayi	Thioredoxin reductase	0.0084	0.2789	1
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0033	0.0792	0.2696
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0792	0.2819
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0033	0.0792	0.0207

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 646444