TDR Targets

Basic information

Technical information

TDR Targets ID: 620978
Name: ethyl 2-[3-(4-bromophenyl)-4-methyl-2-oxochro men-6-yl]oxypropanoate
MW: 431.277 | Formula: C21H19BrO5
H donors: 0 H acceptors: 2 LogP: 4.81 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C(Oc1ccc2c(c1)c(C)c(c(=O)o2)c1ccc(cc1)Br)C
InChi: 1S/C21H19BrO5/c1-4-25-20(23)13(3)26-16-9-10-18-17(11-16)12(2)19(21(24)27-18)14-5-7-15(22)8-6-14/h5-11,13H,4H2,1-3H3
InChiKey: ONIAAMBJPDTGAT-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 2-[3-(4-bromophenyl)-4-methyl-2-oxo-chromen-6-yl]oxypropanoate
2-[[3-(4-bromophenyl)-4-methyl-2-oxo-6-chromenyl]oxy]propanoic acid ethyl ester
2-[3-(4-bromophenyl)-2-keto-4-methyl-chromen-6-yl]oxypropionic acid ethyl 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
Brugia malayi	RNA recognition motif domain containing protein	0.0321	0.2538	0.6394
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0054	0.0049
Echinococcus multilocularis	Smad4	0.0033	0.0054	0.0164
Schistosoma mansoni	sulfide quinone reductase	0.0034	0.0062	0.0057
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0845	0.7064	0.8958
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0358	0.0903
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0128	0.0876	0.2911
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0023	0.0062
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0014	0.0031
Loa Loa (eye worm)	Smad1	0.0033	0.0054	0.0135
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0128	0.0876	0.2803
Onchocerca volvulus		0.0235	0.1796	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0128	0.0876	0.2803
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0128	0.0876	0.1042
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0084	0.0264
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0128	0.0876	0.2803
Trichomonas vaginalis	set domain proteins, putative	0.0235	0.1796	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0084	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.0632	0.1584
Mycobacterium tuberculosis	Probable oxidoreductase	0.094	0.7878	1
Brugia malayi	Pre-SET motif family protein	0.0207	0.155	0.39
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0845	0.7064	0.8958
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0128	0.0876	0.2803
Plasmodium vivax	NAD(P)H-dependent glutamate synthase, putative	0.0034	0.0062	0.0131
Toxoplasma gondii	selenide, water dikinase	0.0034	0.0062	0.0131
Loa Loa (eye worm)	TAR-binding protein	0.0321	0.2538	0.6398
Echinococcus granulosus	tar DNA binding protein	0.0321	0.2538	0.8466
Schistosoma mansoni	hypothetical protein	0.0068	0.0358	0.0354
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0128	0.0876	0.2199
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0084	0.0079
Echinococcus multilocularis	smad	0.0033	0.0054	0.0164
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0041	0.0103
Plasmodium falciparum	glutathione reductase	0.0128	0.0876	0.2803
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0128	0.0876	1
Brugia malayi	hypothetical protein	0.0037	0.0084	0.02
Schistosoma mansoni	hypothetical protein	0.0032	0.0041	0.0037
Schistosoma mansoni	glutamate synthase	0.0034	0.0062	0.0057
Schistosoma mansoni	hypothetical protein	0.0037	0.0084	0.0079
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0128	0.0876	0.2803
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0034	0.0062	0.0144
Brugia malayi	MH2 domain containing protein	0.0033	0.0054	0.0124
Echinococcus multilocularis	pyridine nucleotide disulfide oxidoreductase	0.0034	0.0062	0.0191
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0054	0.0049
Schistosoma mansoni	hypothetical protein	0.0032	0.0041	0.0037
Loa Loa (eye worm)	hypothetical protein	0.01	0.0632	0.1593
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0128	0.0876	0.2898
Plasmodium vivax	ferrodoxin reductase, putative	0.0034	0.0062	0.0131
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0023	0.0019
Brugia malayi	MH1 domain containing protein	0.0033	0.0054	0.0124
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0128	0.0876	0.2803
Toxoplasma gondii	NADPH-glutathione reductase	0.0128	0.0876	0.2898
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0034	0.0062	0.0131
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0023	0.0019
Entamoeba histolytica	hypothetical protein	0.0037	0.0084	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0374	0.2998	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0041	0.0092
Loa Loa (eye worm)	glutathione reductase	0.0371	0.2966	0.7476
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0128	0.0876	0.2803
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0094	0.0582	0.1457
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0128	0.0876	0.2898
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0845	0.7064	0.8958
Brugia malayi	Thioredoxin reductase	0.0371	0.2966	0.7474
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.094	0.7878	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0128	0.0876	0.0872
Echinococcus granulosus	Smad4	0.0033	0.0054	0.0164
Brugia malayi	MH2 domain containing protein	0.0033	0.0054	0.0124
Trichomonas vaginalis	glutathione reductase, putative	0.0128	0.0876	0.4694
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.0632	0.1584
Echinococcus granulosus	NADPH:adrenodoxin oxidoreductase	0.0034	0.0062	0.0191
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0128	0.0876	1
Schistosoma mansoni	sulfide quinone reductase	0.0034	0.0062	0.0057
Brugia malayi	glutathione reductase	0.0371	0.2966	0.7474
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0054	0.0049
Brugia malayi	NADPH:adrenodoxin oxidoreductase, mitochondrial precursor	0.0034	0.0062	0.0144
Loa Loa (eye worm)	MH2 domain-containing protein	0.0487	0.3967	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0128	0.0876	0.2803
Trichomonas vaginalis	mercuric reductase, putative	0.0128	0.0876	0.4694
Schistosoma mansoni	tar DNA-binding protein	0.0321	0.2538	0.2535
Mycobacterium tuberculosis	Probable dehydrogenase	0.0845	0.7064	0.8958
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0128	0.0876	0.2803
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0023	0.0062
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0041	0.0122
Trypanosoma cruzi	trypanothione reductase, putative	0.0371	0.2966	1
Plasmodium falciparum	glutathione reductase	0.0371	0.2966	1
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0128	0.0876	1
Schistosoma mansoni	Smad4	0.0033	0.0054	0.0049
Loa Loa (eye worm)	programmed cell death 8	0.0034	0.0062	0.0155
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.155	0.3907
Loa Loa (eye worm)	pyridine nucleotide-disufhide oxidoreductase	0.0034	0.0062	0.0155
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0033	0.0054	0.0164
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0034	0.0062	0.0191
Echinococcus granulosus	GPCR family 2	0.0032	0.0041	0.0122
Schistosoma mansoni	hypothetical protein	0.0034	0.0062	0.0057
Brugia malayi	glutamate synthase	0.0034	0.0062	0.0144
Echinococcus granulosus	sulfide:quinone oxidoreductase	0.0034	0.0062	0.0191
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0128	0.0876	1
Treponema pallidum	NADH oxidase	0.0128	0.0876	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0128	0.0876	0.2803
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.0632	0.1593
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0128	0.0876	0.2803
Leishmania major	trypanothione reductase	0.0371	0.2966	1
Onchocerca volvulus		0.003	0.0023	0.0104
Brugia malayi	Pre-SET motif family protein	0.003	0.0023	0.0047
Entamoeba histolytica	hypothetical protein	0.0037	0.0084	1
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0034	0.0062	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0041	0.0103
Brugia malayi	TAR-binding protein	0.0321	0.2538	0.6394
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0034	0.0062	0.0191
Echinococcus granulosus	apoptosis inducing factor 1 mitochondrial	0.0034	0.0062	0.0191
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0023	0.0019
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0128	0.0876	1
Echinococcus multilocularis	sulfide:quinone oxidoreductase	0.0034	0.0062	0.0191
Echinococcus multilocularis	glutamate synthase	0.0034	0.0062	0.0191
Schistosoma mansoni	glutamate synthase	0.0034	0.0062	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0062	0.0155
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.094	0.7878	1
Plasmodium vivax	type II NADH:ubiquinone oxidoreductase, putative	0.0034	0.0062	0.0131
Loa Loa (eye worm)	RNA binding protein	0.0321	0.2538	0.6398
Toxoplasma gondii	thioredoxin reductase	0.0371	0.2966	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0023	0.0019
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0321	0.2538	0.6398
Loa Loa (eye worm)	MH1 domain-containing protein	0.0033	0.0054	0.0135
Schistosoma mansoni	tar DNA-binding protein	0.0321	0.2538	0.2535
Schistosoma mansoni	disulfide oxidoreductase	0.0034	0.0062	0.0057
Echinococcus multilocularis	apoptosis inducing factor 1 mitochondrial	0.0034	0.0062	0.0191
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0034	0.0062	0.0191
Plasmodium vivax	glutathione reductase, putative	0.0371	0.2966	1
Echinococcus multilocularis	NADPH:adrenodoxin oxidoreductase	0.0034	0.0062	0.0191
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0094	0.0582	0.1457
Entamoeba histolytica	hypothetical protein	0.0037	0.0084	1
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0041	0.0122
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0004	0.0011
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0004	0.0011
Brugia malayi	MH1 domain containing protein	0.0033	0.0054	0.0124
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0033	0.0054	0.0164
Brugia malayi	RNA binding protein	0.0321	0.2538	0.6394
Plasmodium falciparum	thioredoxin reductase	0.0371	0.2966	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0033	0.0054	0.0049
Plasmodium vivax	thioredoxin reductase, putative	0.0371	0.2966	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0845	0.7064	0.8958
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0371	0.2966	0.3716
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0128	0.0876	0.2803
Echinococcus granulosus	glutamate synthase	0.0034	0.0062	0.0191
Loa Loa (eye worm)	MH2 domain-containing protein	0.0033	0.0054	0.0135
Loa Loa (eye worm)	hypothetical protein	0.003	0.0023	0.0058
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0033	0.0054	0.0164
Loa Loa (eye worm)	transcription factor SMAD2	0.0487	0.3967	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0128	0.0876	1
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0128	0.0876	0.2911
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0004	0.0011
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0034	0.0062	0.0144
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0845	0.7064	0.8958
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0128	0.0876	0.2803
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0128	0.0876	0.2803
Schistosoma mansoni	tar DNA-binding protein	0.0321	0.2538	0.2535
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0023	0.0062
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0041	0.0092
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0041	0.0122
Echinococcus granulosus	thioredoxin glutathione reductase	0.0374	0.2998	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0041	0.0037
Echinococcus granulosus	mothers against decapentaplegic 5	0.0033	0.0054	0.0164
Plasmodium falciparum	thioredoxin reductase	0.0128	0.0876	0.2803
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0084	0.0264
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.0358	0.0893
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0041	0.0122
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0034	0.0062	0.0131
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.094	0.7878	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0128	0.0876	0.2803
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0041	0.0122
Schistosoma mansoni	hypothetical protein	0.0032	0.0041	0.0037
Schistosoma mansoni	smad	0.0033	0.0054	0.0049
Trypanosoma cruzi	trypanothione reductase, putative	0.0128	0.0876	0.2803
Onchocerca volvulus		0.0034	0.0062	0.0319
Echinococcus granulosus	smad	0.0033	0.0054	0.0164
Schistosoma mansoni	tar DNA-binding protein	0.0321	0.2538	0.2535
Brugia malayi	MH2 domain containing protein	0.0487	0.3967	1
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0034	0.0062	0.0131
Schistosoma mansoni	tar DNA-binding protein	0.0321	0.2538	0.2535
Echinococcus multilocularis	tar DNA binding protein	0.0321	0.2538	0.8466
Mycobacterium tuberculosis	Probable reductase	0.0845	0.7064	0.8958
Loa Loa (eye worm)	thioredoxin reductase	0.0371	0.2966	0.7476
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0128	0.0876	0.2803
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0128	0.0876	0.2803
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0128	0.0876	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0128	0.0876	0.2803
Echinococcus granulosus	pyridine nucleotide disulfide oxidoreductase	0.0034	0.0062	0.0191
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0128	0.0876	0.2898
Schistosoma mansoni	glutamate synthase	0.0034	0.0062	0.0057
Brugia malayi	Smad1	0.0033	0.0054	0.0124
Toxoplasma gondii	non-proton pumping type-II NADH dehydrogenase I	0.0034	0.0062	0.0131
Toxoplasma gondii	NADH dehydrogenase (NDH2-II)	0.0034	0.0062	0.0131
Trypanosoma brucei	trypanothione reductase	0.0371	0.2966	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 620978