TDR Targets

Basic information

Technical information

TDR Targets ID: 690774
Name: N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]b utanamide
MW: 282.359 | Formula: C13H18N2O3S
H donors: 1 H acceptors: 3 LogP: 1.21 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCCC(=O)Nc1cccc(c1)N1CCCS1(=O)=O
InChi: 1S/C13H18N2O3S/c1-2-5-13(16)14-11-6-3-7-12(10-11)15-8-4-9-19(15,17)18/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,14,16)
InChiKey: IYTDGWKDFNRAPX-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

N-[3-(1,1-diketo-1,2-thiazolidin-2-yl)phenyl]butyramide
ZINC05339126

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
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0144	0.1376	0.1273
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.308	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0182	0.0606
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0182	0.0574
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0182	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0253	0.2593	1
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0094	0.0812	0.0641
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0182	0.1892
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0182	0.0065
Echinococcus granulosus	survival motor neuron protein 1	0.0253	0.2593	1
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0062	0.0443	0.4682
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0182	0.0065
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0149	0.0575
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0103	0.0906	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0182	0.0065
Schistosoma mansoni	hypothetical protein	0.0052	0.0329	0.1841
Schistosoma mansoni	hypothetical protein	0.0039	0.0185	0.1034
Schistosoma mansoni	bromodomain containing protein	0.0063	0.0454	0.2539
Echinococcus granulosus	geminin	0.0181	0.1787	0.6891
Brugia malayi	Bromodomain containing protein	0.0038	0.0175	0.0581
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.308	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.308	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0059	0.0414	0.1596
Brugia malayi	beta-lactamase	0.0038	0.0182	0.0606
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0059	0.0414	0.1596
Toxoplasma gondii	ABC1 family protein	0.0038	0.0182	0.1686
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0062	0.0443	0.0266
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.308	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.308	1
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0182	0.0574
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0144	0.1376	0.1216
Treponema pallidum	fructose-bisphosphate aldolase	0.0296	0.308	0.2468
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0149	0.0575
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.091	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.027	0.1512
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.308	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0052	0.0329	0.1179
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.091	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0185	0.0713
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.0103	0.0906	0.2499
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0182	0.0065
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.027	0.1042
Brugia malayi	hypothetical protein	0.0039	0.0185	0.0617
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0182	0.0574
Chlamydia trachomatis	glucose-6-phosphate 1-dehydrogenase	0.0094	0.0812	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0182	0.1892
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.091	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0182	0.0574
Schistosoma mansoni	hypothetical protein	0.0181	0.1787	1
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0103	0.0906	0.2499
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0182	0.0065
Trypanosoma brucei	glucose-6-phosphate 1-dehydrogenase	0.0094	0.0812	1
Schistosoma mansoni	glucose-6-phosphate 1-dehydrogenase	0.0094	0.0812	0.4541
Brugia malayi	beta-lactamase family protein	0.0038	0.0182	0.0606
Treponema pallidum	hypothetical protein	0.091	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0182	0.0574
Echinococcus multilocularis	glucose 6 phosphate 1 dehydrogenase	0.0094	0.0812	0.313
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.027	0.1512
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0182	0.0065
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0094	0.0812	1
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0182	0.0065
Schistosoma mansoni	survival motor neuron protein	0.0052	0.0329	0.1841
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0182	0.1018
Trypanosoma cruzi	Glucose-6-phosphate dehydrogenase, putative	0.003	0.0091	0.0718
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0182	0.0065
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.0103	0.0906	0.0874
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0176	0.0552
Giardia lamblia	Fructose-bisphosphate aldolase	0.0296	0.308	1
Brugia malayi	beta-lactamase family protein	0.0038	0.0182	0.0606
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0182	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0182	0.0574
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.0103	0.0906	0.0874
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.027	0.1042
Brugia malayi	hypothetical protein	0.0025	0.0035	0.0034
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0185	0.1034
Leishmania major	hypothetical protein, conserved	0.0038	0.0182	0.1892
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0103	0.0906	0.2499
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0182	0.0702
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0296	0.308	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0182	0.1018
Echinococcus multilocularis	geminin	0.0181	0.1787	0.6891
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0296	0.308	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0224	0.0738
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.027	0.1042
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0182	0.0147
Leishmania major	glucose-6-phosphate 1-dehydrogenase, putative	0.0094	0.0812	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.027	0.1512
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.027	0.095
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.308	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0182	0.0065
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.091	1	1
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0031	0.0101	0.0849
Echinococcus granulosus	glucose 6 phosphate 1 dehydrogenase	0.0094	0.0812	0.313
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.027	0.0919
Brugia malayi	hypothetical protein	0.0253	0.2593	1
Loa Loa (eye worm)	glucose-6-phosphate dehydrogenase	0.0094	0.0812	0.3035
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0182	0.1892
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0246	0.2516	0.2427
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0144	0.1376	0.1216
Brugia malayi	glucose-6-phosphate dehydrogenase	0.0094	0.0812	0.3059
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0182	0.0702
Loa Loa (eye worm)	hypothetical protein	0.004	0.0203	0.0655
Onchocerca volvulus		0.0052	0.0329	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.027	0.1042
Brugia malayi	Bromodomain containing protein	0.0074	0.0584	0.2173
Echinococcus multilocularis	survival motor neuron protein 1	0.0253	0.2593	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0185	0.0713
Schistosoma mansoni	hypothetical protein	0.0181	0.1787	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0537	0.196
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0296	0.308	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0182	0.0574

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 690774