TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 315.369 | Formula: C11H13N3O4S2
H donors: 1 H acceptors: 4 LogP: 2.48 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC(CNC1=NS(=O)(=O)c2c(S1)ccc(c2)[N+](=O)[O-])C
InChi: 1S/C11H13N3O4S2/c1-7(2)6-12-11-13-20(17,18)10-5-8(14(15)16)3-4-9(10)19-11/h3-5,7H,6H2,1-2H3,(H,12,13)
InChiKey: VXXUBCJOERZLBD-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

No synonyms found for this compound

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 ulcerans	polyketide synthase Pks9	0.0013	0.0178	0.0127
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0019	0.0391	0.1222
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0011	0.0114	0.0355
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.019	0.6322	0.4595
Mycobacterium ulcerans	polyketide synthase Pks13	0.003	0.0754	0.0706
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.001	0.0052	0.0051
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0289	0.9796	1
Toxoplasma gondii	type I fatty acid synthase, putative	0.0014	0.0213	0.011
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0021	0.0455	0.1422
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0289	0.9796	1
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0021	0.0455	0.0405
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0017	0.0297	0.0778
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0289	0.9796	0.9796
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0016	0.0277	0.0226
Onchocerca volvulus		0.0042	0.1186	1
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0019	0.0391	0.1222
Brugia malayi	glyceraldehyde 3-phosphate dehydrogenase	0.009	0.2842	0.2841
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0612	0.0563
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0612	0.0563
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.02	0.6675	0.6675
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.01	0.3195	0.3194
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.0682	0.0076
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0612	0.1778
Onchocerca volvulus		0.0026	0.0629	0.5293
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.035	0.1093
Schistosoma mansoni	hypothetical protein	0.0039	0.1073	0.1072
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.002	0.0412	0.1288
Mycobacterium ulcerans	polyketide synthase	0.002	0.0412	0.0362
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0021	0.0455	0.1422
Mycobacterium leprae	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.01	0.32	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0612	0.0563
Onchocerca volvulus	Fatty acid synthase homolog	0.0036	0.0968	0.8154
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH1	0.0289	0.9796	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0612	0.0563
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.019	0.6322	0.6453
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.035	0.1093
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0919	0.0918
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0289	0.9796	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.002	0.0412	0.1145
Plasmodium falciparum	glyceraldehyde-3-phosphate dehydrogenase	0.0289	0.9796	1
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.001	0.0052	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0386	0.0385
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.02	0.6675	0.6675
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0289	0.9796	0.9796
Plasmodium vivax	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0289	0.9796	1
Mycobacterium leprae	Polyketide synthase Pks13	0.003	0.0754	0.2232
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0289	0.9796	1
Mycobacterium ulcerans	thioesterase TesA	0.0017	0.0297	0.0246
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0289	0.9796	1
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0612	0.0611
Mycobacterium ulcerans	Type I modular polyketide synthase	0.002	0.0412	0.0362
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.002	0.0412	0.1288
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0612	0.0611
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0021	0.0455	0.1281
Onchocerca volvulus		0.001	0.0052	0.0428
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0612	0.1778
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0189	0.6316	0.4996
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0386	0.0385
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0021	0.0455	0.1281
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.002	0.0412	0.1145
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.001	0.0052	0.0162
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0014	0.0217	0.0679
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0386	0.0336
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0612	0.0611
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0289	0.9796	0.9701
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0016	0.0286	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0612	0.0611
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0289	0.9796	1
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0612	0.0611
Chlamydia trachomatis	glyceraldehyde-3-phosphate dehydrogenase	0.0289	0.9796	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0612	0.0563
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0386	0.0385
Leishmania major	glyceraldehyde-3-phosphate dehydrogenase-like protein	0.0189	0.6316	0.6211
Entamoeba histolytica	hypothetical protein	0.0039	0.1073	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0386	0.0385
Treponema pallidum	glyceraldehyde 3-phosphate dehydrogenase (gap)	0.0289	0.9796	0.5
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0289	0.9796	1
Mycobacterium ulcerans	Type I modular polyketide synthase	0.002	0.0412	0.0362
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0289	0.9796	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0289	0.9796	0.9701
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0289	0.9796	1
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.002	0.0412	0.1288
Loa Loa (eye worm)	fatty acid synthase	0.002	0.0403	0.0402
Toxoplasma gondii	type I fatty acid synthase, putative	0.0022	0.0492	0.0398
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0189	0.6316	0.4996
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0612	0.1911
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.019	0.6322	0.6321
Loa Loa (eye worm)	hypothetical protein	0.019	0.6322	0.6321
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0289	0.9796	0.9796
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0612	0.0611
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.003	0.0754	0.2358
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0021	0.0455	0.1422
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.035	0.1093
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0289	0.9796	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0612	0.1911
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0289	0.9796	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0016	0.0277	0.0715
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0612	0.0563
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0289	0.9796	0.9796
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.1073	0.1094
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.001	0.0052	0.0162
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0289	0.9796	1
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.003	0.0754	0.2358
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0289	0.9796	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0016	0.0277	0.0226
Loa Loa (eye worm)	acyl carrier protein	0.0009	0.0038	0.0037
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0289	0.9796	0.9796
Onchocerca volvulus		0.0026	0.0612	0.5151
Echinococcus granulosus	geminin	0.0183	0.6092	0.6218
Wolbachia endosymbiont of Brugia malayi	glyceraldehyde-3-phosphate dehydrogenase, GapA	0.0289	0.9796	0.5
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0013	0.0169	0.0065
Mycobacterium ulcerans	Type I modular polyketide synthase	0.002	0.0412	0.0362
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH2	0.0289	0.9796	1
Brugia malayi	hypothetical protein	0.0039	0.1073	0.1072
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0612	0.0563
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0013	0.0178	0.0127
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.035	0.1093
Echinococcus multilocularis	geminin	0.0183	0.6092	0.6218
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.002	0.0412	0.0411
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0289	0.9796	1
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0289	0.9796	1
Schistosoma mansoni	hypothetical protein	0.0183	0.6092	0.6092
Mycobacterium ulcerans	thioesterase	0.0017	0.0297	0.0246
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0612	0.0563
Entamoeba histolytica	hypothetical protein	0.0039	0.1073	0.0502
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0289	0.9796	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0289	0.9796	0.9701
Entamoeba histolytica	hypothetical protein	0.0039	0.1073	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0108	0.0107
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0013	0.0178	0.04
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0386	0.1207
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.019	0.6322	0.6453
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.002	0.0412	0.0362
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0026	0.0629	0.1964
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0021	0.0455	0.0405
Schistosoma mansoni	hypothetical protein	0.0183	0.6092	0.6092
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.019	0.6322	0.4595
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0289	0.9796	1
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, cytosolic	0.0289	0.9796	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0289	0.9796	0.9701
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0038	0.1032	0.1031
Mycobacterium ulcerans	glyceraldehyde 3-phosphate dehydrogenase Gap	0.0289	0.9796	0.9795
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0386	0.0385
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0289	0.9796	0.9701
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.001	0.0052	0.0162
Mycobacterium ulcerans	polyketide synthase	0.0021	0.0455	0.0405
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0026	0.0629	0.0627
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0289	0.9796	1
Mycobacterium tuberculosis	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.01	0.32	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0021	0.0455	0.1281
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0289	0.9796	1
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.019	0.6322	0.6321
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.1073	0.1094
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.1073	0.1072
Entamoeba histolytica	hypothetical protein	0.0039	0.1073	0.0502
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0629	0.0627
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0017	0.0297	0.0928

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

ChEMBL: CHEMBL2325525

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1727077