TDR Targets

Basic information

Technical information

TDR Targets ID: 647879
Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 4-[(4 -methylbenzoyl)amino]benzoate
MW: 452.844 | Formula: C23H17ClN2O6
H donors: 1 H acceptors: 5 LogP: 4.84 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
InChi: 1S/C23H17ClN2O6/c1-14-2-4-15(5-3-14)22(28)25-18-9-6-16(7-10-18)23(29)32-13-21(27)17-8-11-19(24)20(12-17)26(30)31/h2-12H,13H2,1H3,(H,25,28)
InChiKey: WNGNCYKGYKTOGM-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

[2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 4-[(4-methylbenzoyl)amino]benzoate
4-[[(4-methylphenyl)-oxomethyl]amino]benzoic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester
4-[(4-methylbenzoyl)amino]benzoic acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester
[2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 4-[(4-methylphenyl)carbonylamino]benzoate
STK269549

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
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	1	1
Brugia malayi	intermediate filament protein	0.0027	0.2818	0.4129
Echinococcus multilocularis	cysteine protease	0.0017	0.0824	0.1174
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.2474	0.5749
Loa Loa (eye worm)	ctsf protein	0.0017	0.0824	0.1309
Giardia lamblia	DINP protein human, muc B family	0.0019	0.1322	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1322	0.1186
Echinococcus multilocularis	lamin dm0	0.0027	0.2818	0.4394
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.1322	0.0911
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.2474	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.629	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	1	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0824	0.0758
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.1322	1
Brugia malayi	hypothetical protein	0.0016	0.0732	0.0602
Echinococcus multilocularis	cysteine protease	0.0017	0.0824	0.1174
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.2818	0.4479
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.2474	0.2357
Leishmania major	cathepsin L-like protease	0.0063	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.1322	0.0543
Schistosoma mansoni	lamin	0.0027	0.2818	0.3648
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.2474	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.1322	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.1322	0.0543
Leishmania major	DNA polymerase eta, putative	0.0031	0.3694	0.3128
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0824	0.1174
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1322	0.1186
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0824	0.0758
Leishmania major	hypothetical protein, conserved	0.0025	0.2474	0.1799
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	1	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.2818	0.4479
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.1322	0.1186
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1322	0.1186
Trypanosoma cruzi	cruzipain precursor, putative	0.0063	1	1
Loa Loa (eye worm)	fibroinase	0.0017	0.0824	0.1309
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.1322	0.1186
Onchocerca volvulus		0.0027	0.2818	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0824	0.1174
Echinococcus multilocularis	musashi	0.0027	0.2818	0.4394
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0824	0.1174
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.2474	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1322	0.1186
Loa Loa (eye worm)	hypothetical protein	0.0026	0.2721	0.4326
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1322	0.1186
Loa Loa (eye worm)	cysteine protease	0.0017	0.0824	0.1309
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.1322	0.1979
Echinococcus granulosus	intermediate filament protein	0.0027	0.2818	0.4394
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.1322	0.5
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.1322	0.16
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0824	0.0758
Trypanosoma cruzi	DNA polymerase eta, putative	0.0044	0.629	0.5957
Echinococcus multilocularis	lamin	0.0027	0.2818	0.4394
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.1322	0.5
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.1322	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1322	0.1186
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0058	0.892	0.8824
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.1322	0.1186
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1322	0.1186
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	1	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0044	0.629	0.6232
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0824	0.0758
Echinococcus granulosus	dna polymerase eta	0.0044	0.629	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0824	0.0758
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0824	0.1174
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.1322	0.2101
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0824	0.1174
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1322	0.1186
Leishmania major	DNA polymerase eta, putative	0.0044	0.629	0.5957
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	1	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.1322	1
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.1322	0.1979
Trypanosoma cruzi	DNA polymerase eta, putative	0.0031	0.3694	0.3128
Leishmania major	DNA polymerase kappa, putative	0.0019	0.1322	0.0543
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1322	0.1186
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.2818	0.4479
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.2474	0.1799
Echinococcus multilocularis	dna polymerase eta	0.0044	0.629	1
Echinococcus granulosus	lamin	0.0027	0.2818	0.4394
Echinococcus granulosus	cathepsin l1	0.0017	0.0824	0.1174
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	1	1
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.3694	1
Schistosoma mansoni	DNA polymerase eta	0.0044	0.629	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.2818	0.4129
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0376	0.0597
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	1	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.005	0.7337	0.7098
Brugia malayi	hypothetical protein	0.0025	0.2474	0.3548
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0824	0.0758
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.1322	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2474	0.3933
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.1322	0.0543
Onchocerca volvulus		0.0027	0.2818	1
Schistosoma mansoni	lamin	0.0027	0.2818	0.3648
Trypanosoma brucei	unspecified product	0.0019	0.1322	0.1186
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0824	0.1309
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.1322	0.0543
Brugia malayi	ImpB/MucB/SamB family protein	0.0044	0.629	1
Echinococcus granulosus	lamin dm0	0.0027	0.2818	0.4394
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.1322	0.1979
Schistosoma mansoni	intermediate filament proteins	0.0027	0.2818	0.3648
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0824	0.1309
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.1322	0.0543
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.0824	0.1309
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.1322	0.0911
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1322	0.1186
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.2474	0.1799
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	1	1
Echinococcus granulosus	dna polymerase kappa	0.0019	0.1322	0.1979
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0824	0.0758
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0824	0.1174
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0096	0.0153
Leishmania major	cathepsin L-like protease	0.0063	1	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 647879