TDR Targets

Basic information

Technical information

TDR Targets ID: 880543
Name: methyl 3-[(2-bromophenyl)methylcarbamoylamino ]benzoate
MW: 363.206 | Formula: C16H15BrN2O3
H donors: 2 H acceptors: 2 LogP: 2.97 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1cccc(c1)NC(=O)NCc1ccccc1Br
InChi: 1S/C16H15BrN2O3/c1-22-15(20)11-6-4-7-13(9-11)19-16(21)18-10-12-5-2-3-8-14(12)17/h2-9H,10H2,1H3,(H2,18,19,21)
InChiKey: MGQGMOGSLOVETQ-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

3-[[[(2-bromophenyl)methylamino]-oxomethyl]amino]benzoic acid methyl ester
3-[(2-bromobenzyl)carbamoylamino]benzoic acid methyl ester

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
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0392	0.0405
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0039	0.0392	0.142
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0039	0.0392	0.0405
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0052	0.0587	0.2279
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0039	0.0392	0.0405
Brugia malayi	hypothetical protein	0.0018	0.007	0.0072
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0039	0.0392	0.142
Entamoeba histolytica	phosphofructokinase, putative	0.0105	0.1422	1
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0052	0.0587	0.0606
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0039	0.0392	0.0405
Brugia malayi	nuclear hormone receptor	0.0039	0.0392	0.0405
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0039	0.0392	0.0405
Schistosoma mansoni	retinoic acid receptor RXR	0.0039	0.0392	0.142
Plasmodium vivax	6-phosphofructokinase, putative	0.0028	0.0225	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0039	0.0392	0.0405
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0018	0.007	0.0072
Echinococcus granulosus	glycine receptor subunit beta	0.0058	0.0688	0.2726
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0039	0.0392	0.142
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0189	0.0525
Toxoplasma gondii	phosphofructokinase PFKII	0.0028	0.0225	0.5
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0039	0.0392	0.142
Brugia malayi	hypothetical protein	0.0021	0.0104	0.0108
Plasmodium vivax	6-phosphofructokinase, putative	0.0028	0.0225	0.5
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0058	0.0688	0.2726
Loa Loa (eye worm)	phosphofructokinase	0.0105	0.1422	0.1469
Loa Loa (eye worm)	nuclear hormone receptor	0.0018	0.007	0.0072
Loa Loa (eye worm)	steroid hormone receptor	0.0039	0.0392	0.0405
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0058	0.0688	0.2726
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0189	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0018	0.007	0.0072
Onchocerca volvulus		0.0026	0.0189	0.012
Loa Loa (eye worm)	hypothetical protein	0.0018	0.007	0.0072
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0028	0.0225	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0104	0.0108
Loa Loa (eye worm)	6-phosphofructokinase	0.0105	0.1422	0.1469
Brugia malayi	Nuclear hormone receptor-like 1	0.0039	0.0392	0.0405
Brugia malayi	steroid hormone receptor	0.0039	0.0392	0.0405
Echinococcus granulosus	ecdysone induced protein 78C	0.0039	0.0392	0.142
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0058	0.0688	0.0711
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0039	0.0392	0.142
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0039	0.0392	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0181	0.0187
Trichomonas vaginalis	phosphofructokinase, putative	0.0105	0.1422	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0058	0.0688	0.2726
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0039	0.0392	0.142
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0189	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0189	0.0195
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0039	0.0392	0.142
Loa Loa (eye worm)	hypothetical protein	0.0018	0.007	0.0072
Brugia malayi	photoreceptor-specific nuclear receptor	0.0039	0.0392	0.0405
Echinococcus multilocularis	6 phosphofructokinase	0.0105	0.1422	0.596
Echinococcus granulosus	intermediate filament protein	0.0026	0.0189	0.0525
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0039	0.0392	0.142
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0039	0.0392	0.0405
Schistosoma mansoni	lamin	0.0026	0.0189	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0018	0.007	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0018	0.007	0.0072
Echinococcus multilocularis	lamin	0.0026	0.0189	0.0525
Brugia malayi	nuclear receptor NHR-88	0.0018	0.007	0.0072
Brugia malayi	conserved hypotetical protein	0.0018	0.007	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0018	0.007	0.0072
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0105	0.1422	0.5
Echinococcus multilocularis	geminin	0.0164	0.2338	1
Echinococcus granulosus	FTZ F1 alpha	0.0039	0.0392	0.142
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0039	0.0392	0.0405
Loa Loa (eye worm)	DR-78	0.0018	0.007	0.0072
Schistosoma mansoni	nuclear hormone receptor	0.0039	0.0392	0.142
Schistosoma mansoni	RAR-like nuclear receptor	0.0039	0.0392	0.142
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0039	0.0392	0.142
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0189	0.0195
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0039	0.0392	0.0405
Schistosoma mansoni	thyroid hormone receptor	0.0039	0.0392	0.142
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0028	0.0225	0.5
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0058	0.0688	0.2726
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0039	0.0392	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0688	0.0711
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0392	0.0405
Loa Loa (eye worm)	6-phosphofructokinase	0.0105	0.1422	0.1469
Brugia malayi	6-phosphofructokinase	0.0105	0.1422	0.1469
Brugia malayi	nuclear hormone receptor	0.0636	0.9678	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0039	0.0392	0.0324
Schistosoma mansoni	coup transcription factor	0.0039	0.0392	0.142
Loa Loa (eye worm)	hypothetical protein	0.0018	0.007	0.0072
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0021	0.0104	0.0152
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0058	0.0688	0.2726
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0018	0.007	0.0072
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0039	0.0392	0.142
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0039	0.0392	0.142
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0039	0.0392	0.142
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0021	0.0104	0.0108
Loa Loa (eye worm)	GABA receptor subunit	0.0053	0.0601	0.0621
Toxoplasma gondii	6-phosphofructokinase	0.0028	0.0225	0.5
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0018	0.007	0.0072
Echinococcus granulosus	lamin dm0	0.0026	0.0189	0.0525
Brugia malayi	nuclear receptor RXR	0.0021	0.0104	0.0108
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0058	0.0688	0.2726
Trichomonas vaginalis	phosphofructokinase, putative	0.0105	0.1422	1
Schistosoma mansoni	lamin	0.0026	0.0189	0.0525
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0039	0.0392	0.0405
Onchocerca volvulus		0.0026	0.0189	0.012
Loa Loa (eye worm)	hypothetical protein	0.0018	0.007	0.0072
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0636	0.9678	1
Brugia malayi	hypothetical protein	0.0018	0.007	0.0072
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0052	0.0587	0.2279
Schistosoma mansoni	hypothetical protein	0.0164	0.2338	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0039	0.0392	0.142
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0058	0.0688	0.2726
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0104	0.0108
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0028	0.0225	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0039	0.0392	0.142
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0392	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0601	0.0621
Brugia malayi	orphan nuclear receptor NR2E1	0.0018	0.007	0.0072
Brugia malayi	Nuclear hormone receptor E75	0.0018	0.007	0.0072
Entamoeba histolytica	phosphofructokinase, putative	0.0105	0.1422	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.007	0.0072
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0039	0.0392	0.142
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0039	0.0392	0.142
Echinococcus multilocularis	ecdysone induced protein 78C	0.0039	0.0392	0.142
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0039	0.0392	0.142
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0021	0.0104	0.0152
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0058	0.0688	0.2726
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0105	0.1422	0.5
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0053	0.0601	0.0621
Echinococcus multilocularis	glycine receptor subunit beta	0.0058	0.0688	0.2726
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0392	0.0405
Brugia malayi	Cation transporter family protein	0.0058	0.0688	0.0711
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0039	0.0392	0.142
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0392	0.0405
Schistosoma mansoni	thyroid hormone receptor	0.0039	0.0392	0.142
Loa Loa (eye worm)	hypothetical protein	0.0018	0.007	0.0072
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0105	0.1422	0.5
Loa Loa (eye worm)	hypothetical protein	0.0617	0.939	0.9703
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0104	0.0108
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0105	0.1422	0.5
Entamoeba histolytica	phosphofructokinase, putative	0.0105	0.1422	1
Schistosoma mansoni	6-phosphofructokinase	0.0105	0.1422	0.596
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0039	0.0392	0.142
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0104	0.0108
Brugia malayi	hypothetical protein	0.0021	0.0104	0.0108
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0105	0.1422	1
Brugia malayi	intermediate filament protein	0.0026	0.0189	0.0195
Trichomonas vaginalis	phosphofructokinase, putative	0.0105	0.1422	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0039	0.0392	0.0405
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0039	0.0392	0.0405
Brugia malayi	Nuclear hormone receptor E75	0.0018	0.007	0.0072
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0039	0.0392	0.142
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0392	0.0405
Brugia malayi	nuclear receptor NHR-88	0.0039	0.0392	0.0405
Leishmania major	ATP-dependent phosphofructokinase	0.0105	0.1422	0.5
Echinococcus multilocularis	lamin dm0	0.0026	0.0189	0.0525
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0039	0.0392	0.142
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0028	0.0225	0.5
Schistosoma mansoni	6-phosphofructokinase	0.0105	0.1422	0.596
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0039	0.0392	0.0405
Onchocerca volvulus		0.0039	0.0392	0.0324
Schistosoma mansoni	hypothetical protein	0.005	0.0562	0.2171
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0104	0.0108
Trichomonas vaginalis	phosphofructokinase, putative	0.0105	0.1422	1
Brugia malayi	nuclear receptor NHR-67	0.0018	0.007	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0018	0.007	0.0072
Brugia malayi	6-phosphofructokinase	0.0105	0.1422	0.1469
Loa Loa (eye worm)	hypothetical protein	0.0018	0.007	0.0072
Brugia malayi	phosphofructokinase	0.0105	0.1422	0.1469
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0021	0.0104	0.0152
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0039	0.0392	0.0405
Brugia malayi	tailless protein	0.0018	0.007	0.0072
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0039	0.0392	0.0405
Brugia malayi	Steroid receptor seven-up type 2	0.0039	0.0392	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0392	0.0405
Brugia malayi	ecdysteroid receptor	0.0039	0.0392	0.0405
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0039	0.0392	0.0405
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0104	0.0152
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0028	0.0225	0.5
Brugia malayi	nuclear receptor RXR	0.0018	0.007	0.0072
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0058	0.0688	0.2726
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0039	0.0392	0.0405
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0104	0.0108
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0028	0.0225	0.5
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0058	0.0688	0.2726
Brugia malayi	nuclear hormone receptor family member odr-7	0.0018	0.007	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0392	0.0405
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0039	0.0392	0.0405
Schistosoma mansoni	hypothetical protein	0.0164	0.2338	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0039	0.0392	0.0405
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0058	0.0688	0.2726
Echinococcus granulosus	lamin	0.0026	0.0189	0.0525
Echinococcus multilocularis	musashi	0.0026	0.0189	0.0525
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0058	0.0688	0.2726
Echinococcus granulosus	geminin	0.0164	0.2338	1
Onchocerca volvulus	Bile acid receptor homolog	0.0039	0.0392	0.0324
Mycobacterium ulcerans	6-phosphofructokinase	0.0105	0.1422	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.007	0.0072
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0052	0.0587	0.0606
Echinococcus multilocularis	FTZ F1 alpha	0.0039	0.0392	0.142
Brugia malayi	ecdysone receptor	0.0018	0.007	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0104	0.0108
Echinococcus granulosus	6 phosphofructokinase	0.0105	0.1422	0.596
Echinococcus granulosus	glycine receptor subunit beta	0.0058	0.0688	0.2726

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 880543