TDR Targets

Basic information

Technical information

TDR Targets ID: 868989
Name: ethyl 4-[[1-(2,3-dihydro-1,4-benzoxazine-4-ca rbonyl)piperidine-4-carbonyl]amino]benzoate
MW: 437.488 | Formula: C24H27N3O5
H donors: 1 H acceptors: 3 LogP: 2.59 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)N1CCOc2c1cccc2
InChi: 1S/C24H27N3O5/c1-2-31-23(29)18-7-9-19(10-8-18)25-22(28)17-11-13-26(14-12-17)24(30)27-15-16-32-21-6-4-3-5-20(21)27/h3-10,17H,2,11-16H2,1H3,(H,25,28)
InChiKey: BOOSUFYXVRGIIN-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

4-[[[1-(2,3-dihydro-1,4-benzoxazin-4-yl-oxomethyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester
4-[[1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carbonyl]amino]benzoic acid ethyl ester
ethyl 4-[[1-(2,3-dihydro-1,4-benzoxazin-4-ylcarbonyl)piperidin-4-yl]carbonylamino]benzoate

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
Leishmania major	peroxidoxin	0.0121	0.354	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0041	0.0514	0.1423
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0094	0.2525	0.2516
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	1	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0142	0.4351	1
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.2525	0.2525
Leishmania major	tryparedoxin peroxidase	0.0121	0.354	1
Chlamydia trachomatis	thio-specific antioxidant peroxidase	0.0121	0.354	0.5
Wolbachia endosymbiont of Brugia malayi	peroxiredoxin	0.0121	0.354	1
Schistosoma mansoni	kinase	0.0048	0.0769	0.2146
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0086	0.2216	0.508
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0431	0.0516
Entamoeba histolytica	peroxiredoxin	0.0121	0.354	0.3532
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0094	0.2525	0.7063
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0543	0.0543
Echinococcus granulosus	thioredoxin dependent peroxide reductase	0.0121	0.354	1
Loa Loa (eye worm)	thioredoxin peroxidase 1	0.0121	0.354	0.5131
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0094	0.2525	0.7098
Loa Loa (eye worm)	thioredoxin reductase	0.0038	0.0385	0.0447
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0431	0.0431
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0096	0.258	0.5918
Mycobacterium tuberculosis	Probable reductase	0.0086	0.2216	0.508
Entamoeba histolytica	peroxiredoxin	0.0121	0.354	0.3532
Toxoplasma gondii	thioredoxin reductase	0.0038	0.0385	0.0872
Giardia lamblia	Kinase, PLK	0.0094	0.2525	0.2516
Trypanosoma cruzi	tryparedoxin peroxidase, putative	0.0121	0.354	1
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.0722	0.0722
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0086	0.2216	0.508
Schistosoma mansoni	lipoxygenase	0.0055	0.1041	0.2917
Schistosoma mansoni	chromobox protein	0.007	0.1588	0.4467
Plasmodium falciparum	thioredoxin peroxidase 2	0.0121	0.354	1
Brugia malayi	Thioredoxin peroxidase 1	0.0121	0.354	0.5182
Plasmodium falciparum	1-cys peroxiredoxin	0.0121	0.354	1
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0431	0.0431
Trichomonas vaginalis	peroxiredoxins, prx-1, prx-2, prx-3, putative	0.0121	0.354	0.354
Trichomonas vaginalis	peroxiredoxins, prx-1, prx-2, prx-3, putative	0.0028	0.0012	0.0012
Mycobacterium tuberculosis	Probable dehydrogenase	0.0086	0.2216	0.508
Trypanosoma cruzi	tryparedoxin peroxidase, putative	0.0121	0.354	1
Mycobacterium ulcerans	alkyl hydroperoxide reductase C protein AhpC	0.0083	0.2097	0.4807
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0208	0.682	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0055	0.1041	0.2858
Brugia malayi	Heterochromatin protein 1	0.007	0.1588	0.2315
Trypanosoma brucei	polo-like protein kinase	0.0094	0.2525	0.6783
Brugia malayi	Pre-SET motif family protein	0.0208	0.682	1
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.2525	0.7122
Plasmodium vivax	1-cys peroxiredoxin	0.0121	0.354	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0083	0.2097	0.3062
Echinococcus granulosus	Peroxiredoxin 2	0.0121	0.354	1
Trypanosoma brucei	tryparedoxin peroxidase	0.0121	0.354	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0094	0.2525	0.3624
Onchocerca volvulus		0.0236	0.7907	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.2525	0.6783
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0096	0.258	0.5918
Brugia malayi	thioredoxin peroxidase 1	0.0083	0.2097	0.3063
Onchocerca volvulus		0.0041	0.0514	0.0516
Leishmania major	tryparedoxin peroxidase	0.0121	0.354	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0431	0.0409
Echinococcus multilocularis	Peroxiredoxin 2	0.0121	0.354	1
Mycobacterium tuberculosis	Probable peroxiredoxin AhpE	0.0083	0.2097	0.4807
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0397	0.0466
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	1	1
Echinococcus multilocularis	chromobox protein 1	0.007	0.1588	0.4353
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0086	0.2216	0.508
Mycobacterium ulcerans	peroxiredoxin AhpE	0.0083	0.2097	0.4807
Brugia malayi	chromobox protein homolog 3	0.0039	0.0431	0.0615
Mycobacterium tuberculosis	Probable oxidoreductase	0.0096	0.258	0.5918
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0112	0.0043
Plasmodium vivax	thioredoxin peroxidase 2, putative	0.0121	0.354	1
Loa Loa (eye worm)	thioredoxin peroxidase	0.0121	0.354	0.5131
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.2525	0.2525
Echinococcus granulosus	chromobox protein 1	0.007	0.1588	0.442
Leishmania major	tryparedoxin peroxidase	0.0121	0.354	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0543	0.0553
Mycobacterium leprae	ALKYL HYDROPEROXIDE REDUCTASE C PROTEIN AHPC (ALKYL HYDROPEROXIDASE C)	0.0083	0.2097	0.4807
Plasmodium vivax	thioredoxin reductase, putative	0.0038	0.0385	0.1056
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0094	0.2525	0.3095
Brugia malayi	AhpC/TSA family protein	0.0083	0.2097	0.3063
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.2525	0.6783
Schistosoma mansoni	peroxiredoxins prx-1 prx-2 prx-3	0.0121	0.354	1
Brugia malayi	Pre-SET motif family protein	0.003	0.0083	0.0104
Trichomonas vaginalis	chromobox protein, putative	0.007	0.1588	0.1588
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.7907	0.7907
Brugia malayi	serine/threonine-protein kinase plk-2	0.0094	0.2525	0.3691
Toxoplasma gondii	peroxiredoxin 6, putative	0.0121	0.354	1
Trypanosoma cruzi	tryparedoxin peroxidase	0.0121	0.354	1
Plasmodium vivax	glutathione reductase, putative	0.0038	0.0385	0.1056
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0404	0.0927
Mycobacterium tuberculosis	Alkyl hydroperoxide reductase C protein AhpC (alkyl hydroperoxidase C)	0.0083	0.2097	0.4807
Loa Loa (eye worm)	heterochromatin protein 1	0.007	0.1588	0.2234
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0096	0.258	0.5918
Trypanosoma cruzi	tryparedoxin peroxidase, putative	0.0121	0.354	1
Schistosoma mansoni	chromobox protein	0.007	0.1588	0.4467
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.2525	0.2525
Plasmodium falciparum	glutathione reductase	0.0038	0.0385	0.1056
Toxoplasma gondii	alkyl hydroperoxide reductase/ Thiol specific antioxidant/ Mal allergen, putative	0.0121	0.354	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0083	0.0119
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0142	0.4351	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	1	1
Trichomonas vaginalis	peroxiredoxins, prx-1, prx-2, prx-3, putative	0.0121	0.354	0.354
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0055	0.1041	0.2772
Trichomonas vaginalis	peroxiredoxin, putative	0.0093	0.2483	0.2483
Trypanosoma cruzi	tryparedoxin peroxidase, putative	0.0121	0.354	1
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.2525	0.2525
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	1	1
Trichomonas vaginalis	alkyl hydroperoxide reductase, subunit C, putative	0.0121	0.354	0.354
Echinococcus granulosus	thioredoxin peroxidase	0.0121	0.354	1
Giardia lamblia	Peroxiredoxin 1	0.0121	0.354	0.3532
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	1	1
Entamoeba histolytica	peroxiredoxin	0.0121	0.354	0.3532
Trichomonas vaginalis	alkyl hydroperoxide reductase, subunit C, putative	0.0121	0.354	0.354
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.2525	0.2525
Entamoeba histolytica	peroxiredoxin	0.0121	0.354	0.3532
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0083	0.0201
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.2525	0.2525
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0404	0.1035
Leishmania major	tryparedoxin peroxidase	0.0121	0.354	1
Onchocerca volvulus		0.0083	0.2097	0.2547
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0038	0.0385	0.0858
Giardia lamblia	Fructose-bisphosphate aldolase	0.0292	1	1
Trypanosoma brucei	peroxidoxin	0.0121	0.354	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0083	0.0201
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	1	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0292	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0083	0.0201
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0142	0.4351	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	1	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0086	0.2216	0.508
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0083	0.2097	0.591
Entamoeba histolytica	1-Cys peroxiredoxin, putative	0.0066	0.1455	0.1444
Trichomonas vaginalis	chromobox protein, putative	0.007	0.1588	0.1588
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0083	0.2097	0.5826
Brugia malayi	glutathione reductase	0.0038	0.0385	0.0547
Echinococcus multilocularis	thioredoxin dependent peroxide reductase	0.0121	0.354	1
Leishmania major	tryparedoxin peroxidase	0.0121	0.354	1
Entamoeba histolytica	peroxiredoxin	0.0121	0.354	0.3532
Mycobacterium ulcerans	alkyl hydroperoxide reductase C protein AhpC	0.0083	0.2097	0.4807
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0086	0.2216	0.508
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.2525	0.2525
Entamoeba histolytica	peroxiredoxin	0.0121	0.354	0.3532
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2097	0.2989
Echinococcus granulosus	L aminoadipate semialdehyde	0.0083	0.2097	0.5875
Echinococcus multilocularis	thioredoxin peroxidase	0.0121	0.354	1
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0094	0.2525	0.6783
Schistosoma mansoni	thioredoxin peroxidase 3	0.0121	0.354	1
Plasmodium vivax	SET domain protein, putative	0.003	0.0083	0.0201
Trichomonas vaginalis	alkyl hydroperoxide reductase, subunit C, putative	0.0121	0.354	0.354
Loa Loa (eye worm)	glutathione reductase	0.0038	0.0385	0.0447
Schistosoma mansoni	thioredoxin peroxidase	0.0121	0.354	1
Entamoeba histolytica	peroxiredoxin	0.0121	0.354	0.3532
Plasmodium falciparum	thioredoxin peroxidase 1	0.0121	0.354	1
Schistosoma mansoni	thioredoxin peroxidase	0.0121	0.354	1
Brugia malayi	thioredoxin peroxidase, identical	0.0121	0.354	0.5182
Trichomonas vaginalis	alkyl hydroperoxide reductase, subunit C, putative	0.0121	0.354	0.354
Giardia lamblia	Peroxiredoxin 1	0.0121	0.354	0.3532
Plasmodium vivax	thioredoxin peroxidase 1, putative	0.0121	0.354	1
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0543	0.0543
Giardia lamblia	Peroxiredoxin 1	0.0121	0.354	0.3532
Trichomonas vaginalis	alkyl hydroperoxide reductase, subunit C, putative	0.0121	0.354	0.354
Brugia malayi	Thioredoxin reductase	0.0038	0.0385	0.0547
Treponema pallidum	fructose-bisphosphate aldolase	0.0292	1	1
Leishmania major	tryparedoxin peroxidase	0.0121	0.354	1
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.0722	0.0722
Plasmodium falciparum	thioredoxin reductase	0.0038	0.0385	0.1056
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	1	1
Toxoplasma gondii	peroxiredoxin PRX3	0.0066	0.1455	0.3967
Echinococcus granulosus	chromobox protein 1	0.007	0.1588	0.442
Leishmania major	tryparedoxin peroxidase	0.0121	0.354	1
Trypanosoma brucei	tryparedoxin peroxidase	0.0121	0.354	1
Trypanosoma cruzi	peroxidoxin	0.0121	0.354	1
Trypanosoma cruzi	tryparedoxin peroxidase, putative	0.0121	0.354	1
Echinococcus multilocularis	chromobox protein 1	0.007	0.1588	0.4353

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 868989