TDR Targets

Basic information

Technical information

TDR Targets ID: 909692
Name: ethyl 6-bromo-5-[(2-chlorophenyl)methoxy]-2-m ethyl-1-benzofuran-3-carboxylate
MW: 423.685 | Formula: C19H16BrClO4
H donors: 0 H acceptors: 1 LogP: 5.73 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1c(C)oc2c1cc(OCc1ccccc1Cl)c(c2)Br
InChi: 1S/C19H16BrClO4/c1-3-23-19(22)18-11(2)25-16-9-14(20)17(8-13(16)18)24-10-12-6-4-5-7-15(12)21/h4-9H,3,10H2,1-2H3
InChiKey: VCWIHTZTLMCQDE-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

ethyl 6-bromo-5-[(2-chlorophenyl)methoxy]-2-methyl-benzofuran-3-carboxylate
6-bromo-5-[(2-chlorophenyl)methoxy]-2-methyl-3-benzofurancarboxylic acid ethyl ester
6-bromo-5-(2-chlorobenzyl)oxy-2-methyl-benzofuran-3-carboxylic acid ethyl ester
EU-0006321
ZINC00623816
Oprea1_832088
ST5038567
ChemDiv1_005097

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	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0131	0.0332	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0131	0.0332	1
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0274	0.0195
Loa Loa (eye worm)	Smad1	0.0205	0.0582	0.0506
Brugia malayi	Smad1	0.0205	0.0582	0.0569
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0405	0.1254	0.2911
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0205	0.0582	0.122
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0204	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0405	0.1254	0.1242
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1279	0.4194	0.4147
Schistosoma mansoni	tar DNA-binding protein	0.1242	0.4072	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0405	0.1254	0.1183
Brugia malayi	RNA recognition motif domain containing protein	0.1242	0.4072	0.4064
Loa Loa (eye worm)	MH1 domain-containing protein	0.0205	0.0582	0.0506
Schistosoma mansoni	hypothetical protein	0.0405	0.1254	0.272
Schistosoma mansoni	hypothetical protein	0.0405	0.1254	0.272
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0131	0.0332	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0092	0.0204	0.6124
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0131	0.0332	0.0593
Brugia malayi	mothers against decapentaplegic homolog 3	0.0092	0.0201	0.0187
Brugia malayi	MH1 domain containing protein	0.0205	0.0582	0.0569
Loa Loa (eye worm)	hypothetical protein	0.039	0.1204	0.1133
Schistosoma mansoni	smad1 5 8 and	0.0205	0.0582	0.0984
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0131	0.0332	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0131	0.0332	0.0593
Schistosoma mansoni	tar DNA-binding protein	0.1242	0.4072	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.1279	0.4194	0.4186
Brugia malayi	isocitrate dehydrogenase	0.0131	0.0332	0.0319
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0205	0.0582	0.122
Loa Loa (eye worm)	MH2 domain-containing protein	0.0092	0.0201	0.0122
Brugia malayi	latrophilin 2 splice variant baaae	0.0874	0.2833	0.2823
Loa Loa (eye worm)	nuclear factor I	0.0113	0.0274	0.0195
Brugia malayi	RNA binding protein	0.1242	0.4072	0.4064
Loa Loa (eye worm)	TAR-binding protein	0.1242	0.4072	0.4024
Echinococcus multilocularis	tar DNA binding protein	0.1242	0.4072	1
Loa Loa (eye worm)	transcription factor SMAD2	0.3005	1	1
Brugia malayi	MH2 domain containing protein	0.0205	0.0582	0.0569
Loa Loa (eye worm)	MH2 domain-containing protein	0.0205	0.0582	0.0506
Schistosoma mansoni	smad1 5 8 and	0.0205	0.0582	0.0984
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0131	0.0332	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0092	0.0204	0.6124
Echinococcus granulosus	mothers against decapentaplegic 5	0.0205	0.0582	0.122
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0092	0.0204	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1279	0.4194	0.4186
Brugia malayi	MH2 domain containing protein	0.0205	0.0582	0.0569
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0405	0.1254	0.2911
Schistosoma mansoni	hypothetical protein	0.0405	0.1254	0.272
Schistosoma mansoni	hypothetical protein	0.0405	0.1254	0.272
Schistosoma mansoni	tar DNA-binding protein	0.1242	0.4072	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0204	0.5
Loa Loa (eye worm)	hypothetical protein	0.0874	0.2833	0.2776
Echinococcus multilocularis	isocitrate dehydrogenase	0.0131	0.0332	0.0593
Schistosoma mansoni	tar DNA-binding protein	0.1242	0.4072	1
Echinococcus granulosus	tar DNA binding protein	0.1242	0.4072	1
Brugia malayi	Latrophilin receptor protein 2	0.0405	0.1254	0.1242
Toxoplasma gondii	isocitrate dehydrogenase	0.0131	0.0332	1
Echinococcus granulosus	mothers against decapentaplegic 2	0.0092	0.0201	0.0262
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0205	0.0582	0.122
Schistosoma mansoni	peptidase Clp (S14 family)	0.0092	0.0204	0.0007
Brugia malayi	Isocitrate dehydrogenase	0.0131	0.0332	0.0319
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0061	0.0097	0.4744
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0204	0.6124
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.1242	0.4072	0.4024
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0201	0.0122
Brugia malayi	hypothetical protein	0.0056	0.008	0.0066
Echinococcus granulosus	mothers against decapentaplegic 6	0.0092	0.0201	0.0262
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0131	0.0332	0.0593
Loa Loa (eye worm)	hypothetical protein	0.0405	0.1254	0.1183
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0204	0.5
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.039	0.1204	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0204	0.5
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0131	0.0332	1
Brugia malayi	MH2 domain containing protein	0.0092	0.0201	0.0187
Schistosoma mansoni	hypothetical protein	0.0874	0.2833	0.68
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0204	0.0125
Brugia malayi	MH1 domain containing protein	0.0113	0.0274	0.0261
Plasmodium falciparum	ataxin-2 like protein, putative	0.0056	0.008	0.2404
Loa Loa (eye worm)	MH2 domain-containing protein	0.3005	1	1
Brugia malayi	N-terminal motif family protein	0.039	0.1204	0.1192
Brugia malayi	MH1 domain containing protein	0.0205	0.0582	0.0569
Schistosoma mansoni	tar DNA-binding protein	0.1242	0.4072	1
Schistosoma mansoni	Smad4	0.0205	0.0582	0.0984
Toxoplasma gondii	isocitrate dehydrogenase	0.0131	0.0332	1
Echinococcus granulosus	Smad4	0.0205	0.0582	0.122
Schistosoma mansoni	smad	0.0205	0.0582	0.0984
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0204	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.0056	0.008	0.2404
Echinococcus multilocularis	GPCR, family 2	0.0405	0.1254	0.2911
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0092	0.0204	0.0269
Plasmodium falciparum	ataxin-2 like protein, putative	0.0056	0.008	0.2404
Echinococcus granulosus	GPCR family 2	0.0405	0.1254	0.2911
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0092	0.0201	0.0262
Brugia malayi	TAR-binding protein	0.1242	0.4072	0.4064
Loa Loa (eye worm)	hypothetical protein	0.1279	0.4194	0.4147
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0205	0.0582	0.0984
Echinococcus multilocularis	Smad4	0.0205	0.0582	0.122
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0131	0.0332	0.034
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0131	0.0332	0.0255
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0092	0.0201	0.0262
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0204	1
Brugia malayi	MH1 domain containing protein	0.0113	0.0274	0.0261
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0131	0.0332	0.0593
Echinococcus multilocularis	smad	0.0205	0.0582	0.122
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0405	0.1254	0.2911
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0131	0.0332	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0092	0.0204	0.6124
Brugia malayi	Probable ClpP-like protease	0.0092	0.0204	0.019
Schistosoma mansoni	smad1 5 8 and	0.0205	0.0582	0.0984
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0131	0.0332	0.0593
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0131	0.0332	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0405	0.1254	0.2911
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0092	0.0204	0.0269
Loa Loa (eye worm)	RNA binding protein	0.1242	0.4072	0.4024
Loa Loa (eye worm)	MH1 domain-containing protein	0.0092	0.0201	0.0122
Toxoplasma gondii	LsmAD domain-containing protein	0.0056	0.008	0.2404
Echinococcus granulosus	smad	0.0205	0.0582	0.122

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.

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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 909692