TDR Targets

Basic information

Technical information

TDR Targets ID: 908098
Name: butyl 3-[[2-(2,4-dibromophenoxy)acetyl]amino] benzoate
MW: 485.166 | Formula: C19H19Br2NO4
H donors: 1 H acceptors: 2 LogP: 5.28 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCCOC(=O)c1cccc(c1)NC(=O)COc1ccc(cc1Br)Br
InChi: 1S/C19H19Br2NO4/c1-2-3-9-25-19(24)13-5-4-6-15(10-13)22-18(23)12-26-17-8-7-14(20)11-16(17)21/h4-8,10-11H,2-3,9,12H2,1H3,(H,22,23)
InChiKey: KCHFIWBJVFTXKT-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-(2,4-dibromophenoxy)-1-oxoethyl]amino]benzoic acid butyl ester
3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzoic acid butyl ester
butyl 3-[2-(2,4-dibromophenoxy)ethanoylamino]benzoate
ST5185242
3-[2-(2,4-Dibromo-phenoxy)-acetylamino]-benzoic acid butyl ester
BAS 00712444
ZINC01801377

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)	MH1 domain-containing protein	0.0025	0.0054	0.0054
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0054	0.1654
Trichomonas vaginalis	conserved hypothetical protein	0.002	0	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0275	0.3	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0367	0.4079	0.4079
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.002	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0774	0.0774
Brugia malayi	hypothetical protein	0.0025	0.0054	0.0054
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0048	0.0329	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0275	0.3	0.3
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.002	0	0.5
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.002	0	0.5
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0048	0.0329	0.1096
Schistosoma mansoni	eyes absent homolog	0.0086	0.0774	0.1146
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0048	0.0329	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.087	1	1
Loa Loa (eye worm)	hypothetical protein	0.0595	0.676	0.676
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.002	0	0.5
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.002	0	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.087	1	1
Schistosoma mansoni	smad	0.0025	0.0054	0.0079
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0048	0.0329	1
Brugia malayi	Latrophilin receptor protein 2	0.0275	0.3	0.3
Brugia malayi	Isocitrate dehydrogenase	0.0048	0.0329	0.0329
Brugia malayi	Smad1	0.0025	0.0054	0.0054
Loa Loa (eye worm)	transcription factor SMAD2	0.0367	0.4079	0.4079
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0774	0.0774
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0054	0.1654
Schistosoma mansoni	tar DNA-binding protein	0.026	0.2823	0.4177
Echinococcus multilocularis	Smad4	0.0025	0.0054	0.0179
Echinococcus granulosus	smad	0.0025	0.0054	0.0179
Loa Loa (eye worm)	hypothetical protein	0.087	1	1
Schistosoma mansoni	tar DNA-binding protein	0.026	0.2823	0.4177
Giardia lamblia	Replication factor C, subunit 1	0.002	0	0.5
Brugia malayi	MH2 domain containing protein	0.0025	0.0054	0.0054
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.002	0	0.5
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0025	0.0054	0.0179
Trichomonas vaginalis	conserved hypothetical protein	0.002	0	0.5
Brugia malayi	RNA binding protein	0.026	0.2823	0.2823
Trichomonas vaginalis	conserved hypothetical protein	0.002	0	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0275	0.3	0.3
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0054	0.1654
Toxoplasma gondii	isocitrate dehydrogenase	0.0048	0.0329	1
Schistosoma mansoni	Smad4	0.0025	0.0054	0.0079
Schistosoma mansoni	hypothetical protein	0.0275	0.3	0.4437
Trichomonas vaginalis	conserved hypothetical protein	0.002	0	0.5
Brugia malayi	isocitrate dehydrogenase	0.0048	0.0329	0.0329
Schistosoma mansoni	hypothetical protein	0.0275	0.3	0.4437
Brugia malayi	TAR-binding protein	0.026	0.2823	0.2823
Schistosoma mansoni	tar DNA-binding protein	0.026	0.2823	0.4177
Schistosoma mansoni	tar DNA-binding protein	0.026	0.2823	0.4177
Entamoeba histolytica	hypothetical protein	0.002	0	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0275	0.3	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0048	0.0329	0.5
Echinococcus multilocularis	smad	0.0025	0.0054	0.0179
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0048	0.0329	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0048	0.0329	1
Loa Loa (eye worm)	Smad1	0.0025	0.0054	0.0054
Trichomonas vaginalis	replication factor C large subunit, putative	0.002	0	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.026	0.2823	0.2823
Loa Loa (eye worm)	TAR-binding protein	0.026	0.2823	0.2823
Onchocerca volvulus		0.002	0	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0054	0.1654
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0275	0.3	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0054	0.1654
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0025	0.0054	0.0179
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0048	0.0329	1
Schistosoma mansoni	hypothetical protein	0.0275	0.3	0.4437
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0275	0.3	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0048	0.0329	0.0486
Brugia malayi	MH2 domain containing protein	0.0367	0.4079	0.4079
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0048	0.0329	0.0329
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0054	0.0079
Echinococcus granulosus	GPCR family 2	0.0275	0.3	1
Schistosoma mansoni	hypothetical protein	0.0595	0.676	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0025	0.0054	0.0079
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0025	0.0054	0.0179
Echinococcus granulosus	Smad4	0.0025	0.0054	0.0179
Loa Loa (eye worm)	RNA binding protein	0.026	0.2823	0.2823
Brugia malayi	MH2 domain containing protein	0.0025	0.0054	0.0054
Echinococcus multilocularis	GPCR, family 2	0.0275	0.3	1
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0054	0.0079
Brugia malayi	hypothetical protein	0.0086	0.0774	0.0774
Echinococcus granulosus	mothers against decapentaplegic 5	0.0025	0.0054	0.0179
Treponema pallidum	DNA ligase (lig)	0.002	0	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.026	0.2823	0.2823
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0048	0.0329	0.1096
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0054	0.0079
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0048	0.0329	0.1096
Echinococcus multilocularis	tar DNA binding protein	0.026	0.2823	0.9412
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.002	0	0.5
Schistosoma mansoni	hypothetical protein	0.0275	0.3	0.4437
Brugia malayi	MH1 domain containing protein	0.0025	0.0054	0.0054
Schistosoma mansoni	tar DNA-binding protein	0.026	0.2823	0.4177
Chlamydia trachomatis	DNA ligase	0.002	0	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0025	0.0054	0.0054
Brugia malayi	MH1 domain containing protein	0.0025	0.0054	0.0054
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0048	0.0329	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0054	0.1654
Echinococcus multilocularis	isocitrate dehydrogenase	0.0048	0.0329	0.1096
Brugia malayi	latrophilin 2 splice variant baaae	0.0595	0.676	0.676
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0048	0.0329	0.1096
Toxoplasma gondii	isocitrate dehydrogenase	0.0048	0.0329	1
Trichomonas vaginalis	conserved hypothetical protein	0.002	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0054	0.0054
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.002	0	0.5
Echinococcus granulosus	tar DNA binding protein	0.026	0.2823	0.9412
Loa Loa (eye worm)	hypothetical protein	0.0275	0.3	0.3
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0054	0.1654
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0048	0.0329	0.1096

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 908098