TDR Targets

Basic information

Technical information

TDR Targets ID: 660220
Name: 5-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)-1,2 ,4-oxadiazole
MW: 361.19 | Formula: C16H13BrN2O3
H donors: 0 H acceptors: 2 LogP: 4.1 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)c1noc(n1)c1cccc(c1)Br
InChi: 1S/C16H13BrN2O3/c1-20-13-7-6-10(9-14(13)21-2)15-18-16(22-19-15)11-4-3-5-12(17)8-11/h3-9H,1-2H3
InChiKey: HDLTWDZPGMVDKS-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

ZINC01121488
STK143965

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	0.007	0.1473	0.1139
Toxoplasma gondii	heat shock protein 75, putative	0.0097	0.2867	0.2588
Schistosoma mansoni	endoplasmin	0.0236	1	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.2801	0.2519
Trypanosoma brucei	heat shock protein, putative	0.0236	1	1
Leishmania major	mitochondrial DNA topoisomerase II	0.0048	0.0376	0.0376
Entamoeba histolytica	90 kDa heat shock protein, putative	0.0097	0.2867	0.2588
Trichomonas vaginalis	heat shock protein, putative	0.0236	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0188	0.7539	0.7539
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0097	0.2867	0.2588
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0096	0.2801	0.2801
Chlamydia trachomatis	DNA gyrase subunit B	0.0048	0.0376	0.5
Trypanosoma brucei	heat shock protein 90, putative	0.0236	1	1
Plasmodium falciparum	heat shock protein 90	0.0236	1	1
Trypanosoma brucei	developmentally regulated phosphoprotein	0.0048	0.0376	0.0376
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0188	0.7539	1
Trypanosoma brucei	heat shock protein 84, putative	0.0097	0.2867	0.2867
Leishmania major	heat shock protein 83-1	0.0236	1	1
Trypanosoma brucei	heat shock protein, putative	0.0236	1	1
Leishmania major	heat shock protein 83-1	0.0236	1	1
Treponema pallidum	heat shock protein 90	0.0188	0.7539	1
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0096	0.2801	0.2801
Leishmania major	heat shock protein 83-1	0.0236	1	1
Trypanosoma cruzi	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0048	0.0376	0.0376
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.007	0.1473	0.1139
Trypanosoma brucei	heat shock protein, putative	0.0236	1	1
Plasmodium vivax	heat shock protein, putative	0.0097	0.2867	0.2588
Mycobacterium ulcerans	heat shock protein 90	0.0188	0.7539	1
Onchocerca volvulus		0.0096	0.2801	0.9734
Trypanosoma cruzi	heat shock protein 85, putative	0.0236	1	1
Echinococcus granulosus	6 phosphofructo 2 kinase:fructose 2	0.0096	0.2801	0.2519
Giardia lamblia	Hypothetical protein	0.0056	0.0799	0.0439
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0048	0.0376	0.5
Brugia malayi	Trypsin family protein	0.007	0.1473	0.1139
Onchocerca volvulus		0.007	0.1473	0.4401
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0096	0.2801	0.2801
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0716	0.0353
Plasmodium vivax	endoplasmin, putative	0.0236	1	1
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.0048	0.0376	0.0376
Trichomonas vaginalis	heat shock protein, putative	0.0188	0.7539	0.7443
Trypanosoma cruzi	heat shock protein 90, putative	0.0236	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0236	1	1
Schistosoma mansoni	heat shock protein	0.0097	0.2867	0.2588
Plasmodium falciparum	endoplasmin, putative	0.0145	0.5328	0.5145
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.0094	0.2718	0.2718
Leishmania major	heat shock protein 83-1	0.0236	1	1
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0048	0.0376	0.0376
Loa Loa (eye worm)	endoplasmin	0.0236	1	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0188	0.7539	1
Leishmania major	heat shock protein 83-1	0.0236	1	1
Loa Loa (eye worm)	heat shock protein 75	0.0097	0.2867	0.2588
Leishmania major	hypothetical protein, conserved	0.0048	0.0376	0.0376
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0056	0.0799	0.0439
Leishmania major	heat shock protein 83-1	0.0236	1	1
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0048	0.0376	0.0376
Chlamydia trachomatis	DNA gyrase subunit B	0.0048	0.0376	0.5
Leishmania major	heat shock protein, putative	0.0097	0.2867	0.2867
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0236	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0188	0.7539	0.7539
Giardia lamblia	Grp94/Hsp90	0.0188	0.7539	0.7443
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.0056	0.0799	0.0589
Echinococcus granulosus	endoplasmin	0.0188	0.7539	0.7443
Entamoeba histolytica	heat shock protein 90, putative	0.0236	1	1
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0188	0.7539	0.7443
Trypanosoma brucei	Heat shock protein 83, putative	0.0236	1	1
Trypanosoma brucei	heat shock protein, putative	0.0236	1	1
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0048	0.0376	0.0376
Echinococcus granulosus	heat shock protein 90	0.0188	0.7539	0.7443
Leishmania major	developmentally regulated phosphoprotein-like protein	0.0048	0.0376	0.0376
Trypanosoma brucei	heat shock protein, putative	0.0236	1	1
Leishmania major	heat shock protein 83-1	0.0236	1	1
Plasmodium falciparum	heat shock protein 90, putative	0.0097	0.2867	0.2588
Plasmodium vivax	heat shock protein 90, putative	0.0097	0.2867	0.2588
Echinococcus granulosus	heat shock protein	0.0236	1	1
Mycobacterium ulcerans	hypothetical protein	0.0056	0.0799	0.0589
Trypanosoma cruzi	heat shock protein, putative	0.0097	0.2867	0.2867
Giardia lamblia	Hypothetical protein	0.0056	0.0799	0.0439
Trypanosoma brucei	heat shock protein 90, putative	0.0236	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0145	0.5328	0.5145
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0188	0.7539	1
Echinococcus multilocularis	heat shock protein	0.0236	1	1
Leishmania major	heat shock protein 83-1	0.0236	1	1
Leishmania major	heat shock protein 83-1	0.0236	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0188	0.7539	0.7443
Toxoplasma gondii	heat shock protein 90, putative	0.0236	1	1
Leishmania major	heat shock protein 83-1	0.0236	1	1
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0048	0.0376	0.0376
Schistosoma mansoni	6-phosphofructokinase	0.0096	0.2801	0.2519
Echinococcus granulosus	heat shock protein 90	0.0236	1	1
Brugia malayi	heat shock protein 90	0.0236	1	1
Echinococcus multilocularis	heat shock protein 90	0.0236	1	1
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.0094	0.2718	0.2718
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0188	0.7539	0.7443
Leishmania major	heat shock protein 83-1	0.0236	1	1
Trypanosoma brucei	heat shock protein, putative	0.0236	1	1
Onchocerca volvulus		0.0062	0.1076	0.2808
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0048	0.0376	0.0376
Toxoplasma gondii	Hsp90 domain-containing protein	0.0097	0.2867	0.2588
Entamoeba histolytica	heat shock protein 90, putative	0.0236	1	1
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0096	0.2801	0.2801
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0048	0.0376	0.0376
Leishmania major	DNA topoisomerase ii	0.0048	0.0376	0.0376
Plasmodium vivax	heat shock protein 86, putative	0.0236	1	1
Trypanosoma brucei	heat shock protein, putative	0.0236	1	1
Brugia malayi	Hsp90 protein	0.0097	0.2867	0.2588
Loa Loa (eye worm)	heat shock protein 90	0.0236	1	1
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0097	0.2867	0.2588
Trichomonas vaginalis	heat shock protein, putative	0.0188	0.7539	0.7443
Trypanosoma cruzi	heat shock protein 85, putative	0.0236	1	1
Trypanosoma brucei	heat shock protein, putative	0.0236	1	1
Leishmania major	heat shock protein 83-1	0.0236	1	1
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.0096	0.2801	0.2519
Leishmania major	heat shock protein 83-1	0.0236	1	1
Leishmania major	heat shock protein 83-1	0.0236	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0097	0.2867	0.2588
Echinococcus multilocularis	endoplasmin	0.0188	0.7539	0.7443
Trypanosoma brucei	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0048	0.0376	0.0376
Trypanosoma cruzi	Heat shock protein 83, putative	0.0236	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.007	0.1473	0.1139
Loa Loa (eye worm)	hypothetical protein	0.0094	0.2718	0.2434
Toxoplasma gondii	heat shock protein HSP90	0.0236	1	1
Schistosoma mansoni	heat shock protein	0.0236	1	1
Echinococcus multilocularis	heat shock protein 90	0.0188	0.7539	0.7443
Schistosoma mansoni	heat shock protein	0.0236	1	1
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0094	0.2718	0.2718
Leishmania major	heat shock protein 83-1	0.0236	1	1
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0188	0.7539	0.7539
Schistosoma mansoni	endoplasmin	0.0236	1	1
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0097	0.2867	1
Plasmodium falciparum	heat shock protein 90, putative	0.0097	0.2867	0.2588
Trichomonas vaginalis	endoplasmin, putative	0.0145	0.5328	0.5145
Leishmania major	heat shock protein 83-1	0.0236	1	1
Leishmania major	heat shock protein 83-1	0.0236	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.014	0.5048	0.5048
Trypanosoma brucei	DNA topoisomerase ii	0.0048	0.0376	0.0376
Loa Loa (eye worm)	hypothetical protein	0.007	0.1473	0.1139
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.0094	0.2718	0.2718

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 660220