TDR Targets

Basic information

Technical information

TDR Targets ID: 621492
Name: acetic acid [4-[(E)-2-[4-(4-bromophenyl)-2-th iazolyl]-2-cyanovinyl]-2,6-dimethoxyphenyl] e ster
MW: 485.35 | Formula: C22H17BrN2O4S
H donors: 0 H acceptors: 3 LogP: 4.82 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: N#CC(=Cc1cc(OC)c(c(c1)OC)OC(=O)C)c1scc(n1)c1ccc(cc1)Br
InChi: 1S/C22H17BrN2O4S/c1-13(26)29-21-19(27-2)9-14(10-20(21)28-3)8-16(11-24)22-25-18(12-30-22)15-4-6-17(23)7-5-15/h4-10,12H,1-3H3/b16-8+
InChiKey: JHRCPLGVHGXBRT-LZYBPNLTSA-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

acetic acid [4-[2-[4-(4-bromophenyl)-2-thiazolyl]-2-cyanovinyl]-2,6-dimethoxyphenyl] ester
acetic acid [4-[(E)-2-[4-(4-bromophenyl)thiazol-2-yl]-2-cyano-vinyl]-2,6-dimethoxy-phenyl] ester
acetic acid [4-[2-[4-(4-bromophenyl)thiazol-2-yl]-2-cyano-vinyl]-2,6-dimethoxy-phenyl] ester
[4-[(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]-2,6-dimethoxyphenyl] acetate
[4-[(E)-2-[4-(4-bromophenyl)thiazol-2-yl]-2-cyano-vinyl]-2,6-dimethoxy-phenyl] acetate
[4-[(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]-2,6-dimethoxy-phenyl] ethanoate
[4-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]-2,6-dimethoxyphenyl] acetate
[4-[2-[4-(4-bromophenyl)thiazol-2-yl]-2-cyano-vinyl]-2,6-dimethoxy-phenyl] acetate
[4-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]-2,6-dimethoxy-phenyl] ethanoate

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	Intermediate filament tail domain containing protein	0.011	0.0835	0.2863
Mycobacterium tuberculosis	Probable lipase LipE	0.0073	0.0468	0.1083
Loa Loa (eye worm)	intermediate filament protein	0.011	0.0835	0.2863
Brugia malayi	RNA binding protein	0.0323	0.2916	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0255	0.0875
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0468	0.1083
Plasmodium falciparum	ataxin-2 like protein, putative	0.0077	0.0507	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0255	0.2252	0.7723
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0468	0.1605
Plasmodium vivax	ataxin-2 like protein, putative	0.0077	0.0507	1
Entamoeba histolytica	hypothetical protein	0.0075	0.0484	1
Brugia malayi	hypothetical protein	0.005	0.024	0.0822
Trichomonas vaginalis	esterase, putative	0.0073	0.0468	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0073	0.0468	0.1605
Loa Loa (eye worm)	hypothetical protein	0.011	0.0835	0.2863
Toxoplasma gondii	LsmAD domain-containing protein	0.0077	0.0507	1
Brugia malayi	beta-lactamase family protein	0.0073	0.0468	0.1605
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0059	0.0332	0.114
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0035	0.0091	0.0002
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0053	0.0275	0.0187
Mycobacterium leprae	conserved hypothetical protein	0.0073	0.0468	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0466	0.4322	1
Schistosoma mansoni	tar DNA-binding protein	0.0323	0.2916	1
Echinococcus granulosus	intermediate filament protein	0.011	0.0835	0.0752
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0073	0.0468	0.1083
Echinococcus multilocularis	lamin	0.011	0.0835	0.0752
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0108	0.0816	0.2798
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.0484	0.1396
Echinococcus granulosus	tar DNA binding protein	0.0323	0.2916	0.2852
Mycobacterium ulcerans	beta-lactamase	0.0073	0.0468	1
Mycobacterium leprae	Probable lipase LipE	0.0073	0.0468	1
Mycobacterium ulcerans	lipase LipD	0.0073	0.0468	1
Brugia malayi	hypothetical protein	0.0075	0.0484	0.1659
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0507	0.1738
Onchocerca volvulus		0.0073	0.0468	0.3735
Schistosoma mansoni	lamin	0.011	0.0835	0.2638
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.0468	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0323	0.2916	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0255	0.2252	0.7723
Mycobacterium tuberculosis	Probable hydrolase	0.0073	0.0468	0.1083
Schistosoma mansoni	tar DNA-binding protein	0.0323	0.2916	1
Onchocerca volvulus		0.011	0.0835	0.6663
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0073	0.0468	0.1605
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.0484	0.0398
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.0468	0.134
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0468	0.1605
Mycobacterium tuberculosis	Probable lipase LipD	0.0073	0.0468	0.1083
Onchocerca volvulus		0.011	0.0835	0.6663
Mycobacterium ulcerans	esterase/lipase LipP	0.0073	0.0468	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0468	0.5
Leishmania major	hypothetical protein, conserved	0.0073	0.0468	0.9232
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0108	0.0816	0.2798
Schistosoma mansoni	tar DNA-binding protein	0.0323	0.2916	1
Loa Loa (eye worm)	RNA binding protein	0.0323	0.2916	1
Entamoeba histolytica	hypothetical protein	0.0075	0.0484	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0089	0.0306
Brugia malayi	beta-lactamase	0.0073	0.0468	0.1605
Loa Loa (eye worm)	hypothetical protein	0.0153	0.1253	0.4296
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0468	0.1605
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0468	0.5
Schistosoma mansoni	hypothetical protein	0.0075	0.0484	0.1396
Schistosoma mansoni	lamin	0.011	0.0835	0.2638
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0468	0.1083
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0468	0.1605
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.011	0.0835	0.2863
Schistosoma mansoni	cellular tumor antigen P53	0.0153	0.1253	0.4116
Brugia malayi	cytoplasmic intermediate filament protein	0.0059	0.0332	0.114
Onchocerca volvulus		0.0073	0.0468	0.3735
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0468	0.1605
Echinococcus multilocularis	tar DNA binding protein	0.0323	0.2916	0.2852
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0468	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0108	0.0816	0.2798
Trypanosoma brucei	PAB1-binding protein , putative	0.0077	0.0507	1
Brugia malayi	MH2 domain containing protein	0.0255	0.2252	0.7723
Brugia malayi	hypothetical protein	0.0077	0.0507	0.1738
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0035	0.0091	0.0002
Schistosoma mansoni	hypothetical protein	0.0035	0.0091	0.0006
Loa Loa (eye worm)	beta-lactamase	0.0073	0.0468	0.1605
Plasmodium falciparum	ataxin-2 like protein, putative	0.0077	0.0507	0.5
Onchocerca volvulus		0.0073	0.0468	0.3735
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0089	0.0306
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0323	0.2916	1
Onchocerca volvulus		0.0153	0.1253	1
Schistosoma mansoni	intermediate filament proteins	0.011	0.0835	0.2638
Echinococcus granulosus	lamin dm0	0.011	0.0835	0.0752
Brugia malayi	TAR-binding protein	0.0323	0.2916	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0074	0.0479	0.1645
Trypanosoma cruzi	PAB1-binding protein , putative	0.0077	0.0507	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0077	0.0507	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0073	0.0468	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0479	0.1645
Brugia malayi	intermediate filament protein	0.011	0.0835	0.2863
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0255	0.0875
Echinococcus multilocularis	lamin dm0	0.011	0.0835	0.0752
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0053	0.0275	0.0187
Schistosoma mansoni	tar DNA-binding protein	0.0323	0.2916	1
Echinococcus multilocularis	musashi	0.011	0.0835	0.0752
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0816	0.2798
Mycobacterium ulcerans	hypothetical protein	0.0073	0.0468	1
Loa Loa (eye worm)	TAR-binding protein	0.0323	0.2916	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0468	0.1605
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0468	0.1083
Leishmania major	hypothetical protein, conserved	0.0077	0.0507	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0275	0.0943
Brugia malayi	beta-lactamase family protein	0.0073	0.0468	0.1605
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.0484	0.0398
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0073	0.0468	0.0382
Mycobacterium tuberculosis	Probable esterase LipL	0.0073	0.0468	0.1083
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0073	0.0468	1
Entamoeba histolytica	hypothetical protein	0.0075	0.0484	1
Schistosoma mansoni	tar DNA-binding protein	0.0323	0.2916	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.0468	0.134
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0089	0.0306
Schistosoma mansoni	hypothetical protein	0.0074	0.0479	0.1381
Echinococcus multilocularis	tumor protein p63	0.1046	1	1
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0089	0.0306
Echinococcus granulosus	lamin	0.011	0.0835	0.0752
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.0468	0.5
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0073	0.0468	0.1083
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0815	0.2795
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0073	0.0468	0.1083
Entamoeba histolytica	hypothetical protein	0.0075	0.0484	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 621492