TDR Targets

Basic information

Technical information

TDR Targets ID: 881214
Name: ethyl 3-[[2-(2-ethylsulfanylacetyl)pyrazolidi ne-1-carbonyl]amino]benzoate
MW: 365.447 | Formula: C17H23N3O4S
H donors: 1 H acceptors: 3 LogP: 2.2 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCSCC(=O)N1CCCN1C(=O)Nc1cccc(c1)C(=O)OCC
InChi: 1S/C17H23N3O4S/c1-3-24-16(22)13-7-5-8-14(11-13)18-17(23)20-10-6-9-19(20)15(21)12-25-4-2/h5,7-8,11H,3-4,6,9-10,12H2,1-2H3,(H,18,23)
InChiKey: GZITUURIQDGRQV-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

3-[[[2-[2-(ethylthio)-1-oxoethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester
3-[[2-[2-(ethylthio)acetyl]pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester
ethyl 3-[[2-(2-ethylsulfanylethanoyl)pyrazolidin-1-yl]carbonylamino]benzoate
Oprea1_228477

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
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0388	0.6267	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0388	0.6267	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0388	0.6267	1
Entamoeba histolytica	aldose reductase, putative	0.0388	0.6267	1
Mycobacterium tuberculosis	Conserved protein	0.0112	0.1277	0.1382
Loa Loa (eye worm)	oxidoreductase	0.0388	0.6267	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0388	0.6267	1
Onchocerca volvulus		0.0388	0.6267	1
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0103	0.1109	0.1769
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0388	0.6267	1
Plasmodium vivax	aldehyde reductase, putative	0.0112	0.1277	1
Loa Loa (eye worm)	hypothetical protein	0.0296	0.4608	0.7353
Trichomonas vaginalis	aldo-keto reductase, putative	0.0388	0.6267	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0388	0.6267	1
Onchocerca volvulus		0.0388	0.6267	1
Brugia malayi	jmjC domain containing protein	0.006	0.0334	0.0532
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.006	0.0334	0.0532
Schistosoma mansoni	aldo-keto reductase	0.0388	0.6267	1
Leishmania major	prostaglandin f synthase, putative	0.0388	0.6267	1
Echinococcus multilocularis	cdgsh iron sulfur domain containing protein	0.0264	0.4023	0.6421
Brugia malayi	MAP kinase sur-1	0.0103	0.1109	0.1769
Onchocerca volvulus		0.0388	0.6267	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0388	0.6267	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0388	0.6267	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0388	0.6267	1
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0112	0.1277	0.2038
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0388	0.6267	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1275	0.2035
Trichomonas vaginalis	aldo-keto reductase, putative	0.0388	0.6267	1
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0042	0	0.5
Trypanosoma brucei	aldo/keto reductase, putative	0.0112	0.1277	0.0326
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0388	0.6267	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0388	0.6267	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0388	0.6267	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0388	0.6267	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.006	0.0334	0.0532
Schistosoma mansoni	aldo-keto reductase	0.0388	0.6267	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0388	0.6267	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0112	0.1277	0.2038
Toxoplasma gondii	aldose reductase, putative	0.0388	0.6267	1
Echinococcus granulosus	mitogen activated protein kinase	0.0103	0.1109	0.1769
Brugia malayi	Muscleblind-like protein	0.0296	0.4608	0.7353
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0388	0.6267	1
Echinococcus granulosus	aldo keto reductase	0.0388	0.6267	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0103	0.1109	0.1769
Echinococcus granulosus	aldehyde reductase	0.0276	0.4232	0.6753
Trichomonas vaginalis	aldo-keto reductase, putative	0.0112	0.1277	0.0326
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0112	0.1277	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0112	0.1277	1
Loa Loa (eye worm)	oxidoreductase	0.0388	0.6267	1
Echinococcus multilocularis	muscleblind protein	0.0296	0.4608	0.7353
Onchocerca volvulus		0.0388	0.6267	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0388	0.6267	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0388	0.6267	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0112	0.1277	0.0424
Loa Loa (eye worm)	oxidoreductase	0.0388	0.6267	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0388	0.6267	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0112	0.1277	0.0424
Trichomonas vaginalis	aldo-keto reductase, putative	0.0388	0.6267	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0388	0.6267	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0112	0.1277	0.2038
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0388	0.6267	1
Echinococcus granulosus	aldo keto reductase	0.0388	0.6267	1
Entamoeba histolytica	aldose reductase, putative	0.0388	0.6267	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0388	0.6267	1
Loa Loa (eye worm)	oxidoreductase	0.0388	0.6267	1
Schistosoma mansoni	serine/threonine protein kinase	0.0103	0.1109	0.1769
Leishmania major	aldo-keto reductase-like protein	0.0388	0.6267	1
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0112	0.1277	0.2038
Trichomonas vaginalis	conserved hypothetical protein	0.0112	0.1277	0.0326
Trichomonas vaginalis	aldo-keto reductase, putative	0.0388	0.6267	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0388	0.6267	1
Echinococcus granulosus	hypothetical protein	0.0388	0.6267	1
Brugia malayi	jmjC domain containing protein	0.006	0.0334	0.0532
Loa Loa (eye worm)	hypothetical protein	0.0388	0.6267	1
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0103	0.1109	0.1769
Echinococcus granulosus	aldo keto reductase	0.0388	0.6267	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0103	0.1109	0.1769
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0388	0.6267	1
Onchocerca volvulus		0.0388	0.6267	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0388	0.6267	1
Brugia malayi	NADH-dependent xylose reductase	0.0112	0.1277	0.2038
Mycobacterium leprae	Possible oxidoreductase	0.0112	0.1277	0.2038
Brugia malayi	HSF-type DNA-binding domain containing protein	0.01	0.1056	0.1685
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0594	1	1
Plasmodium falciparum	aldehyde reductase, putative	0.0112	0.1277	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0112	0.1277	0.0326
Loa Loa (eye worm)	oxidoreductase	0.0388	0.6267	1
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0112	0.1277	0.2038
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0103	0.1109	0.1769
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0388	0.6267	1
Mycobacterium leprae	Conserved hypothetical protein	0.0276	0.4232	0.6753
Trichomonas vaginalis	aldo-keto reductase, putative	0.0112	0.1277	0.0326
Echinococcus granulosus	muscleblind protein	0.0296	0.4608	0.7353
Onchocerca volvulus		0.0112	0.1277	0.2038
Schistosoma mansoni	jumonji/arid domain-containing protein	0.006	0.0334	0.0532
Toxoplasma gondii	aldo-keto reductase	0.0112	0.1277	0.2038
Loa Loa (eye worm)	hypothetical protein	0.0296	0.4608	0.7353
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0388	0.6267	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0388	0.6267	1
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0552	0.9242	1
Trypanosoma cruzi	aldo-keto reductase	0.0388	0.6267	1
Giardia lamblia	Aldose reductase	0.0388	0.6267	1
Schistosoma mansoni	CDGSH-type Zn finger-containing protein-like protein	0.028	0.4312	0.688
Trichomonas vaginalis	aldo-keto reductase, putative	0.0388	0.6267	1
Entamoeba histolytica	aldose reductase, putative	0.0388	0.6267	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0388	0.6267	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.1056	0.1685
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0112	0.1277	0.2038
Echinococcus multilocularis	muscleblind protein 1	0.0296	0.4608	0.7353
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0388	0.6267	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0103	0.1109	0.1769
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0388	0.6267	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.006	0.0334	0.0532
Echinococcus granulosus	voltage gated potassium channel subunit	0.0112	0.1277	0.2038
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0388	0.6267	1
Echinococcus multilocularis	aldehyde reductase	0.0276	0.4232	0.6753
Schistosoma mansoni	hypothetical protein	0.028	0.4312	0.688
Mycobacterium tuberculosis	Probable oxidoreductase	0.0388	0.6267	0.678
Onchocerca volvulus	Heat shock factor protein 2 homolog	0.01	0.1056	0.1685
Onchocerca volvulus		0.0112	0.1275	0.2035
Echinococcus multilocularis	aldo keto reductase	0.0388	0.6267	1
Mycobacterium ulcerans	hypothetical protein	0.0112	0.1277	0.1277
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0103	0.1109	0.1769
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0388	0.6267	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0103	0.1109	0.1769
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0388	0.6267	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0334	0.0532
Brugia malayi	Uncharacterized hematopoietic stem/progenitor cells protein MDS029	0.0112	0.1275	0.2035
Echinococcus multilocularis	aldo keto reductase	0.0388	0.6267	1
Schistosoma mansoni	jumonji domain containing protein	0.006	0.0334	0.0532
Trypanosoma cruzi	aldo/keto reductase, putative	0.0388	0.6267	1
Echinococcus granulosus	lysine specific demethylase 5A	0.006	0.0334	0.0532
Trichomonas vaginalis	aldo-keto reductase, putative	0.0388	0.6267	1
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0112	0.1277	0.0326
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0388	0.6267	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.006	0.0334	0.0532
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0103	0.1109	0.1769
Echinococcus granulosus	mitogen activated protein kinase 3	0.0103	0.1109	0.1769
Onchocerca volvulus		0.0388	0.6267	1
Echinococcus multilocularis	aldo keto reductase	0.0388	0.6267	1
Giardia lamblia	Aldose reductase	0.0388	0.6267	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0112	0.1277	0.2038
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0112	0.1277	0.2038
Echinococcus multilocularis	aldo keto reductase	0.0388	0.6267	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0388	0.6267	1
Schistosoma mansoni	pol-related	0.0388	0.6267	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0388	0.6267	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0388	0.6267	1
Mycobacterium ulcerans	oxidoreductase	0.0388	0.6267	0.6267
Echinococcus granulosus	cdgsh iron sulfur domain containing protein	0.0264	0.4023	0.6421
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0388	0.6267	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0388	0.6267	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0103	0.1109	0.1769
Trypanosoma brucei	prostaglandin f synthase	0.0388	0.6267	1
Schistosoma mansoni	potassium channel beta	0.0112	0.1277	0.2038

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 881214