TDR Targets

Basic information

Technical information

TDR Targets ID: 781406
Name: N-(4-nitrophenyl)-2-(3-oxothiomorpholin-2-yl) acetamide
MW: 295.314 | Formula: C12H13N3O4S
H donors: 2 H acceptors: 4 LogP: 0.66 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)[N+](=O)[O-])CC1SCCNC1=O
InChi: 1S/C12H13N3O4S/c16-11(7-10-12(17)13-5-6-20-10)14-8-1-3-9(4-2-8)15(18)19/h1-4,10H,5-7H2,(H,13,17)(H,14,16)
InChiKey: BAVCBFHHIXRAFP-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-(4-nitrophenyl)-2-(3-oxo-2-thiomorpholinyl)acetamide
2-(3-ketothiomorpholin-2-yl)-N-(4-nitrophenyl)acetamide
N-(4-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)ethanamide
A3961/0168806

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
Brugia malayi	hypothetical protein	0.0027	0.0557	0.0557
Echinococcus multilocularis	carboxylesterase 5A	0.006	0.2878	0.2878
Echinococcus granulosus	acetylcholinesterase	0.006	0.2878	0.2878
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1817	0.1817
Leishmania major	hypothetical protein, conserved	0.0053	0.2433	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0159	1	1
Echinococcus granulosus	serotonin transporter	0.0159	1	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0053	0.2433	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.006	0.2878	0.2878
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1817	0.1817
Echinococcus multilocularis	acetylcholinesterase	0.006	0.2878	0.2878
Plasmodium falciparum	amino acid transporter, putative	0.0027	0.0557	0.229
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0557	0.0557
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0027	0.0557	0.0557
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0027	0.0557	0.0557
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0027	0.0557	0.0557
Onchocerca volvulus	Huntingtin homolog	0.0125	0.7574	0.7431
Onchocerca volvulus	Huntingtin homolog	0.0125	0.7574	0.7431
Schistosoma mansoni	sodium/chloride dependent transporter	0.0027	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.006	0.2878	0.2878
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1817	0.1817
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0027	0.0557	0.0557
Schistosoma mansoni	sodium/chloride dependent transporter	0.0159	1	1
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0159	1	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0027	0.0557	0.229
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0027	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0557	0.0557
Toxoplasma gondii	LsmAD domain-containing protein	0.0053	0.2433	1
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0027	0.0557	0.0557
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0	0.5
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0027	0.0557	0.0557
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0027	0.0557	0.0557
Toxoplasma gondii	hypothetical protein	0.0027	0.0557	0.229
Echinococcus multilocularis	serotonin transporter	0.0159	1	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0	0.5
Loa Loa (eye worm)	carboxylesterase	0.006	0.2878	0.2878
Loa Loa (eye worm)	hypothetical protein	0.0159	1	1
Brugia malayi	Carboxylesterase family protein	0.006	0.2878	0.2878
Echinococcus granulosus	carboxylesterase 5A	0.006	0.2878	0.2878
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0027	0.0557	0.0557
Loa Loa (eye worm)	acetylcholinesterase 1	0.006	0.2878	0.2878
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0027	0.0557	0.0557
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1817	0.1817
Loa Loa (eye worm)	hypothetical protein	0.0159	1	1
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0027	0.0557	0.0557
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0027	0.0557	0.229
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0027	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0159	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0125	0.7574	0.7574
Brugia malayi	hypothetical protein	0.0125	0.7574	0.7574
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0024	0.0334	0.0334
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0027	0.0557	0.5
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0027	0.0557	0.0557
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0024	0.0334	0.0334
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1817	0.1817
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0027	0.0557	0.0557
Trypanosoma cruzi	PAB1-binding protein , putative	0.0053	0.2433	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0027	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0125	0.7574	0.7574
Echinococcus granulosus	acetylcholinesterase	0.006	0.2878	0.2878
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0	0.5
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0027	0.0557	0.229
Plasmodium vivax	ataxin-2 like protein, putative	0.0053	0.2433	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0053	0.2433	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0027	0.0557	0.0557
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0027	0.0557	0.0557
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0027	0.0557	0.0557
Trypanosoma brucei	PAB1-binding protein , putative	0.0053	0.2433	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1817	0.1817
Loa Loa (eye worm)	hypothetical protein	0.0053	0.2433	0.2433
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0027	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.006	0.2878	0.2878
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0027	0.0557	0.0557
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0027	0.0557	0.0557
Brugia malayi	hypothetical protein	0.0053	0.2433	0.2433
Onchocerca volvulus		0.0159	1	1
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0	0.5
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0027	0.0557	0.0557
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0	0.5
Schistosoma mansoni	sodium/chloride dependent transporter	0.0027	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0557	0.0557
Echinococcus multilocularis	acetylcholinesterase	0.006	0.2878	0.2878
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1817	0.1817
Toxoplasma gondii	hypothetical protein	0.0027	0.0557	0.229
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0027	0.0557	0.0557
Schistosoma mansoni	hypothetical protein	0.0024	0.0334	0.0334
Echinococcus granulosus	sodium and chloride dependent glycine	0.0027	0.0557	0.0557
Plasmodium vivax	amine transporter, putative	0.0027	0.0557	0.229
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1817	0.1817
Plasmodium falciparum	transporter, putative	0.0027	0.0557	0.229
Loa Loa (eye worm)	serotonin transporter b	0.0159	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1817	0.1817
Loa Loa (eye worm)	norepinephrine transporter	0.0159	1	1
Echinococcus granulosus	sodium and chloride dependent glycine	0.0027	0.0557	0.0557
Plasmodium falciparum	ataxin-2 like protein, putative	0.0053	0.2433	1
Brugia malayi	hypothetical protein	0.0034	0.1084	0.1084
Treponema pallidum	sodium- and chloride- dependent transporter	0.0159	1	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0027	0.0557	0.0557
Brugia malayi	Carboxylesterase family protein	0.006	0.2878	0.2878
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0557	0.0557
Plasmodium vivax	hypothetical protein, conserved	0.0027	0.0557	0.229
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0557	0.0557

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 781406