TDR Targets

Basic information

Technical information

TDR Targets ID: 619332
Name: 2-[[5-[(4-bromophenoxy)methyl]-4-prop-2-enyl- 1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphen yl)ethanone
MW: 474.371 | Formula: C21H20BrN3O3S
H donors: 0 H acceptors: 3 LogP: 4.59 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: C=CCn1c(SCC(=O)c2ccc(cc2)OC)nnc1COc1ccc(cc1)Br
InChi: 1S/C21H20BrN3O3S/c1-3-12-25-20(13-28-18-10-6-16(22)7-11-18)23-24-21(25)29-14-19(26)15-4-8-17(27-2)9-5-15/h3-11H,1,12-14H2,2H3
InChiKey: ILKUDSTUGYYTDT-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

2-[[4-allyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
2-[[4-allyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone
ZINC00637266
ST5114138

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
Schistosoma mansoni	cellular tumor antigen P53	0.0102	0.1156	0.2411
Echinococcus granulosus	lamin	0.0087	0.0926	0.091
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0903	0.1906
Schistosoma mansoni	tar DNA-binding protein	0.0343	0.4738	1
Brugia malayi	beta-lactamase	0.0037	0.0195	0.0412
Plasmodium vivax	ataxin-2 like protein, putative	0.0057	0.0483	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0195	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1156	0.2439
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0195	0.0376
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0195	0.0611
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0102	0.1156	0.2439
Schistosoma mansoni	tar DNA-binding protein	0.0343	0.4738	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0483	0.102
Brugia malayi	hypothetical protein	0.0037	0.0184	0.0388
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0195	0.0412
Schistosoma mansoni	hypothetical protein	0.0032	0.0119	0.0215
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0343	0.4738	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0057	0.0483	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0412
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0119	0.0101
Echinococcus multilocularis	tumor protein p63	0.0697	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0195	0.5
Schistosoma mansoni	hypothetical protein	0.0032	0.0119	0.0215
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0195	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0102	0.1156	0.2439
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0119	0.0101
Plasmodium falciparum	ataxin-2 like protein, putative	0.0057	0.0483	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0119	0.0101
Trypanosoma cruzi	PAB1-binding protein , putative	0.0057	0.0483	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0195	0.0611
Echinococcus multilocularis	lamin	0.0087	0.0926	0.091
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0195	0.0178
Schistosoma mansoni	tar DNA-binding protein	0.0343	0.4738	1
Loa Loa (eye worm)	transcription factor SMAD2	0.025	0.3347	0.7064
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0119	0.0251
Entamoeba histolytica	hypothetical protein	0.0073	0.0718	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0119	0.0215
Echinococcus granulosus	tar DNA binding protein	0.0343	0.4738	0.4728
Onchocerca volvulus		0.0037	0.0195	0.1688
Schistosoma mansoni	hypothetical protein	0.007	0.0676	0.1394
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0412
Loa Loa (eye worm)	TAR-binding protein	0.0343	0.4738	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0195	0.5
Onchocerca volvulus		0.0087	0.0926	0.8016
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0195	1
Echinococcus granulosus	intermediate filament protein	0.0087	0.0926	0.091
Plasmodium falciparum	ataxin-2 like protein, putative	0.0057	0.0483	0.5
Onchocerca volvulus		0.0037	0.0195	0.1688
Brugia malayi	beta-lactamase family protein	0.0037	0.0195	0.0412
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0412
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0195	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0195	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0057	0.0483	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0239	0.3191	1
Brugia malayi	MH2 domain containing protein	0.025	0.3347	0.7064
Loa Loa (eye worm)	hypothetical protein	0.004	0.0237	0.05
Echinococcus multilocularis	tar DNA binding protein	0.0343	0.4738	0.4728
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0119	0.0251
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0042	0.026	0.0243
Entamoeba histolytica	hypothetical protein	0.0073	0.0718	1
Trichomonas vaginalis	esterase, putative	0.0037	0.0195	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0412
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0042	0.026	0.0243
Onchocerca volvulus		0.0087	0.0926	0.8016
Echinococcus multilocularis	lamin dm0	0.0087	0.0926	0.091
Loa Loa (eye worm)	MH2 domain-containing protein	0.025	0.3347	0.7064
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0119	0.0101
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.0676	0.1427
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0195	0.0611
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0195	0.0611
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0102	0.1156	0.2439
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0195	1
Leishmania major	hypothetical protein, conserved	0.0057	0.0483	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0195	0.0376
Brugia malayi	intermediate filament protein	0.0087	0.0926	0.1955
Brugia malayi	hypothetical protein	0.0073	0.0718	0.1517
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0195	0.0611
Brugia malayi	RNA recognition motif domain containing protein	0.0343	0.4738	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0926	0.1955
Loa Loa (eye worm)	hypothetical protein	0.004	0.0237	0.05
Echinococcus granulosus	GPCR family 2	0.0032	0.0119	0.0101
Echinococcus granulosus	lamin dm0	0.0087	0.0926	0.091
Echinococcus multilocularis	musashi	0.0087	0.0926	0.091
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0195	0.0611
Loa Loa (eye worm)	RNA binding protein	0.0343	0.4738	1
Onchocerca volvulus		0.0037	0.0195	0.1688
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0119	0.0101
Loa Loa (eye worm)	intermediate filament protein	0.0087	0.0926	0.1955
Entamoeba histolytica	hypothetical protein	0.0073	0.0718	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0412
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0412
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.0718	0.0702
Leishmania major	hypothetical protein, conserved	0.0037	0.0195	0.4038
Brugia malayi	hypothetical protein	0.0057	0.0483	0.102
Loa Loa (eye worm)	hypothetical protein	0.007	0.0676	0.1427
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0195	0.5
Onchocerca volvulus		0.0102	0.1156	1
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0195	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0195	0.0178
Schistosoma mansoni	lamin	0.0087	0.0926	0.1925
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0119	0.0251
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0046	0.0329	0.0694
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0195	0.0611
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0195	0.0611
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0119	0.0251
Brugia malayi	Intermediate filament tail domain containing protein	0.0087	0.0926	0.1955
Entamoeba histolytica	hypothetical protein	0.0073	0.0718	1
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0195	0.0611
Schistosoma mansoni	tar DNA-binding protein	0.0343	0.4738	1
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0195	0.0412
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.0718	0.1485
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1156	0.2439
Schistosoma mansoni	hypothetical protein	0.0032	0.0119	0.0215
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0195	1
Schistosoma mansoni	lamin	0.0087	0.0926	0.1925
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0195	0.0611
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0087	0.0926	0.1955
Brugia malayi	TAR-binding protein	0.0343	0.4738	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0195	0.0412
Mycobacterium ulcerans	lipase LipD	0.0037	0.0195	1
Brugia malayi	RNA binding protein	0.0343	0.4738	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.0718	0.0702
Loa Loa (eye worm)	hypothetical protein	0.0042	0.026	0.055
Schistosoma mansoni	hypothetical protein	0.0073	0.0718	0.1485
Brugia malayi	cytoplasmic intermediate filament protein	0.0046	0.0329	0.0694
Trypanosoma cruzi	PAB1-binding protein , putative	0.0057	0.0483	1
Schistosoma mansoni	intermediate filament proteins	0.0087	0.0926	0.1925
Schistosoma mansoni	tar DNA-binding protein	0.0343	0.4738	1
Brugia malayi	beta-lactamase family protein	0.0037	0.0195	0.0412

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 619332