TDR Targets

Basic information

Technical information

TDR Targets ID: 672099
Name: ethyl 2-[(5E)-5-[[1-(3-chloro-4-fluorophenyl) -2,5-dimethylpyrrol-3-yl]methylidene]-2,4-dio xo-1,3-thiazolidin-3-yl]acetate
MW: 436.884 | Formula: C20H18ClFN2O4S
H donors: 0 H acceptors: 3 LogP: 4.59 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)CN1C(=O)S/C(=C/c2cc(n(c2C)c2ccc(c(c2)Cl)F)C)/C1=O
InChi: 1S/C20H18ClFN2O4S/c1-4-28-18(25)10-23-19(26)17(29-20(23)27)8-13-7-11(2)24(12(13)3)14-5-6-16(22)15(21)9-14/h5-9H,4,10H2,1-3H3/b17-8+
InChiKey: UBLUEFMPLUDSER-CAOOACKPSA-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-[(5E)-5-[[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2,4-dioxo-thiazolidin-3-yl]acetate
2-[(5E)-5-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylene]-2,4-dioxo-3-thiazolidinyl]acetic acid ethyl ester
2-[(5E)-5-[[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2,4-diketo-thiazolidin-3-yl]acetic acid ethyl ester
ethyl 2-[(5E)-5-[[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethanoate
STK152435

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	0.001	0.0832	0.0832
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.3263	0.7367
Loa Loa (eye worm)	hypothetical protein	0.001	0.0832	0.0832
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.3263	0.3263
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0832	0.0832
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.4429	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0832	0.0832
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.4429	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.2588	0.5844
Loa Loa (eye worm)	hypothetical protein	0.001	0.0832	0.0832
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.3263	0.3263
Echinococcus multilocularis	dna polymerase eta	0.0044	1	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.4429	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0044	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.3263	0.3263
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0832	0.0832
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.3263	0.7367
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.1679	0.1679
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0832	0.1878
Loa Loa (eye worm)	hypothetical protein	0.0017	0.2844	0.2844
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0832	0.0832
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.4429	0.4429
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0832	0.0832
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0832	0.0832
Onchocerca volvulus		0.0023	0.4429	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3263	0.3263
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.3263	0.3263
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.3263	0.3263
Leishmania major	DNA polymerase eta, putative	0.0031	0.648	0.648
Loa Loa (eye worm)	hypothetical protein	0.0017	0.2844	0.2844
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.4429	0.4429
Loa Loa (eye worm)	hypothetical protein	0.0023	0.4429	0.4429
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.3263	0.3263
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0832	0.0832
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0832	0.0832
Echinococcus granulosus	dna polymerase kappa	0.0019	0.3263	0.3263
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.4429	1
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0832	0.0832
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0832	0.0832
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0832	0.0832
Trypanosoma cruzi	DNA polymerase eta, putative	0.0031	0.648	0.648
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0832	0.0832
Giardia lamblia	DINP protein human, muc B family	0.0019	0.3263	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0832	0.0832
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.3263	0.7367
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3263	0.3263
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.2844	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.2844	0.2844
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0832	0.0832
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3263	0.3263
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.3263	0.3263
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0832	0.0832
Trypanosoma brucei	unspecified product	0.0013	0.1679	0.1679
Loa Loa (eye worm)	hypothetical protein	0.0044	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3263	0.3263
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.648	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.2844	0.6421
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.3263	0.3263
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0832	0.0832
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0832	0.0832
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.4429	0.4429
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0832	0.0832
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0832	0.0832
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.2844	0.6421
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0832	0.0832
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3263	0.3263
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.3263	0.7367
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0832	0.0832
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0832	0.0832
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0832	0.0832
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.2844	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0832	0.0832
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0832	0.0832
Brugia malayi	steroid hormone receptor	0.001	0.0832	0.0832
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.1679	0.1679
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.3263	0.3263
Loa Loa (eye worm)	hypothetical protein	0.001	0.0832	0.0832
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0832	0.0832
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0832	0.0832
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0832	0.0832
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0832	0.0832
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.4429	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.4429	0.4429
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0832	0.0832
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.4429	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.4429	0.4429
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.4429	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.2844	0.2844
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0832	0.0832
Loa Loa (eye worm)	hypothetical protein	0.001	0.0832	0.0832
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0832	0.0832
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.4429	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.3263	0.3263
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.3263	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0832	0.0832
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.1679	0.1679
Schistosoma mansoni	DNA polymerase eta	0.0044	1	1
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.2844	1
Trypanosoma brucei	unspecified product	0.0019	0.3263	0.3263
Mycobacterium ulcerans	hypothetical protein	0.0023	0.4429	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.3263	0.3263
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0832	0.0832
Loa Loa (eye worm)	hypothetical protein	0.001	0.0832	0.0832
Leishmania major	DNA polymerase eta, putative	0.0044	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0832	0.0832
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.3263	0.3263
Schistosoma mansoni	coup transcription factor	0.001	0.0832	0.0832
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3263	0.3263
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0832	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0023	0.4429	0.4429
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0832	0.0832
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.3263	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0832	0.0832
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.4429	1
Echinococcus granulosus	dna polymerase eta	0.0044	1	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.4429	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3263	0.3263
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.2588	0.5844
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.2588	0.5844
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3263	0.3263
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.2588	0.5844
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0832	0.0832
Leishmania major	DNA polymerase kappa, putative	0.0019	0.3263	0.3263
Loa Loa (eye worm)	hypothetical protein	0.001	0.0832	0.0832
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0832	0.0832
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0832	0.0832
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0832	0.0832
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.4429	1
Onchocerca volvulus		0.001	0.0832	0.1878
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0832	0.0832
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0832	0.0832
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0832	0.0832
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0832	0.0832
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0832	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0017	0.2844	0.2844
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3263	0.3263
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3263	0.3263
Trypanosoma brucei	unspecified product	0.0013	0.1679	0.1679
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.3263	0.3263
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.4429	1
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0832	0.0832
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0832	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0023	0.4429	0.4429
Brugia malayi	nuclear receptor NHR-88	0.001	0.0832	0.0832
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0832	0.0832
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.3263	0.7367
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0832	0.1878
Brugia malayi	ecdysteroid receptor	0.001	0.0832	0.0832
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0832	0.0832
Trypanosoma brucei	DNA polymerase eta, putative	0.0044	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0832	0.0832
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0832	0.0832
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.3263	0.3263
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.4429	0.4429
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.3263	0.3263
Brugia malayi	nuclear hormone receptor	0.001	0.0832	0.0832
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0832	0.0832
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.4429	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0832	0.1878
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0832	0.0832
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.4429	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 672099