TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 265.307 | Formula: C8H11NO5S2
H donors: 0 H acceptors: 5 LogP: 0.66 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCS(=O)(=O)c1cccc(n1)OS(=O)(=O)C
InChi: 1S/C8H11NO5S2/c1-3-16(12,13)8-6-4-5-7(9-8)14-15(2,10)11/h4-6H,3H2,1-2H3
InChiKey: LJHRSUFJWXXDGV-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
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0878	0.0878
Echinococcus multilocularis	acetylcholinesterase	0.0134	0.0878	0.0522
Echinococcus granulosus	acetylcholinesterase	0.0134	0.0878	0.0522
Mycobacterium tuberculosis	Possible chitinase	0.007	0	0.5
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0144	0.1011	1
Echinococcus granulosus	acetylcholinesterase	0.0134	0.0878	0.0522
Onchocerca volvulus	Putative endochitinase	0.0092	0.0297	0.2052
Brugia malayi	Endochitinase	0.0092	0.0297	0.0137
Entamoeba histolytica	cell division protein kinase 2, putative	0.0144	0.1011	0.1152
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0144	0.1011	0.0662
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0144	0.1011	0.0662
Entamoeba histolytica	protein kinase, putative	0.0623	0.7521	1
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0098	0.038	0.038
Loa Loa (eye worm)	hypothetical protein	0.013	0.0816	0.0816
Echinococcus multilocularis	carboxylesterase 5A	0.0134	0.0878	0.0522
Trichomonas vaginalis	CMGC family protein kinase	0.0623	0.7521	1
Plasmodium falciparum	MO15-related protein kinase	0.0144	0.1011	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0134	0.0878	0.0878
Trichomonas vaginalis	CMGC family protein kinase	0.0623	0.7521	1
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0623	0.7521	0.7521
Loa Loa (eye worm)	cuticular endochitinase	0.0082	0.0163	0.0163
Onchocerca volvulus		0.013	0.0816	1
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0623	0.7521	0.7541
Entamoeba histolytica	protein kinase domain containing protein	0.0098	0.038	0.0294
Brugia malayi	Hepatocellular carcinoma-associated antigen 59 family protein	0.013	0.0816	0.0668
Trichomonas vaginalis	CMGC family protein kinase	0.0623	0.7521	1
Trypanosoma brucei	Mitogen-activated protein kinase 10, putative	0.0144	0.1011	0.0884
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0144	0.1011	0.1011
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.0144	0.1011	0.0662
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0144	0.1011	0.1011
Entamoeba histolytica	hypothetical protein	0.0098	0.038	0.0294
Trichomonas vaginalis	CMGC family protein kinase	0.0623	0.7521	1
Echinococcus multilocularis	acetylcholinesterase	0.0134	0.0878	0.0522
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0623	0.7521	1
Echinococcus granulosus	serine:threonine protein kinase haspin	0.08	0.992	1
Brugia malayi	Carboxylesterase family protein	0.0134	0.0878	0.0732
Brugia malayi	Protein kinase domain containing protein	0.0098	0.038	0.0221
Schistosoma mansoni	hypothetical protein	0.013	0.0816	0.0457
Brugia malayi	Cell division protein kinase 2	0.0144	0.1011	0.0869
Trypanosoma brucei	protein kinase, putative	0.0144	0.1011	0.0884
Echinococcus granulosus	mitogen activated protein kinase 15	0.0144	0.1011	0.0662
Schistosoma mansoni	hypothetical protein	0.0138	0.0931	0.0578
Onchocerca volvulus	Putative endochitinase	0.0092	0.0297	0.2052
Loa Loa (eye worm)	carboxylesterase	0.0134	0.0878	0.0878
Mycobacterium ulcerans	chitinase/cellulase	0.007	0	0.5
Echinococcus granulosus	dual specificity	0.0623	0.7521	0.7486
Entamoeba histolytica	protein kinase, putative	0.0098	0.038	0.0294
Echinococcus multilocularis	dual specificity	0.0623	0.7521	0.7486
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0144	0.1011	0.0884
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.0144	0.1011	0.1152
Echinococcus granulosus	dual specificity	0.0623	0.7521	0.7486
Plasmodium vivax	serine/threonine protein kinase KIN, putative	0.0144	0.1011	1
Echinococcus multilocularis	dual specificity	0.0623	0.7521	0.7486
Entamoeba histolytica	protein kinase domain containing protein	0.0623	0.7521	1
Entamoeba histolytica	hypothetical protein	0.0138	0.0931	0.1044
Brugia malayi	endochitinase	0.0092	0.0297	0.0137
Echinococcus granulosus	serine:threonine protein kinase haspin	0.08	0.992	1
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.08	0.992	1
Loa Loa (eye worm)	chitinase I	0.0082	0.0163	0.0163
Loa Loa (eye worm)	haspin protein kinase	0.08	0.992	0.992
Schistosoma mansoni	hypothetical protein	0.08	0.992	1
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0144	0.1011	0.0869
Onchocerca volvulus	Putative endochitinase	0.0092	0.0297	0.2052
Echinococcus multilocularis	dual specificity	0.0623	0.7521	0.7486
Entamoeba histolytica	protein kinase domain containing protein	0.0144	0.1011	0.1152
Schistosoma mansoni	serine/threonine protein kinase	0.0144	0.1011	0.0662
Giardia lamblia	Kinase, CMGC DYRK	0.0623	0.7521	1
Echinococcus granulosus	serine:threonine protein kinase haspin	0.08	0.992	1
Loa Loa (eye worm)	microfilarial chitinase	0.008	0.0134	0.0134
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0623	0.7521	1
Echinococcus granulosus	Pfam-B_8186 domain containing protein	0.0138	0.0931	0.0578
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0623	0.7521	1
Echinococcus granulosus	cyclin dependent kinase 9	0.0144	0.1011	0.0662
Leishmania major	serine/threonine kinase-like protein, putative	0.0144	0.1011	0.1152
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0134	0.0878	0.0522
Brugia malayi	GSG2	0.08	0.992	1
Loa Loa (eye worm)	hypothetical protein	0.013	0.0816	0.0816
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.08	0.992	1
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0623	0.7521	1
Brugia malayi	hypothetical protein	0.08	0.992	1
Trichomonas vaginalis	CMGC family protein kinase	0.0623	0.7521	1
Echinococcus granulosus	Hepatocellular carcinoma associated antigen 59	0.013	0.0816	0.0457
Schistosoma mansoni	serine/threonine kinase	0.0144	0.1011	0.0662
Loa Loa (eye worm)	hypothetical protein	0.0092	0.03	0.03
Entamoeba histolytica	protein kinase, putative	0.0098	0.038	0.0294
Schistosoma mansoni	protein kinase	0.0144	0.1011	0.0662
Trichomonas vaginalis	CMGC family protein kinase	0.0623	0.7521	1
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0144	0.1011	0.0662
Loa Loa (eye worm)	haspin protein kinase	0.08	0.992	0.992
Mycobacterium ulcerans	chitinase/cellulase	0.007	0	0.5
Onchocerca volvulus		0.013	0.0816	1
Brugia malayi	Carboxylesterase family protein	0.0134	0.0878	0.0732
Loa Loa (eye worm)	hypothetical protein	0.0092	0.03	0.03
Brugia malayi	Protein kinase domain containing protein	0.0144	0.1011	0.0869
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0878	0.0878
Echinococcus multilocularis	hypothetical protein	0.0138	0.0931	0.0578
Echinococcus granulosus	dual specificity	0.0623	0.7521	0.7486
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0144	0.1011	0.0884
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0098	0.038	0.0294
Echinococcus multilocularis	Hepatocellular carcinoma associated antigen 59	0.013	0.0816	0.0457
Echinococcus granulosus	carboxylesterase 5A	0.0134	0.0878	0.0522
Echinococcus multilocularis	cyclin dependent kinase 9	0.0144	0.1011	0.0662
Schistosoma mansoni	serine/threonine protein kinase	0.0623	0.7521	0.7486
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0144	0.1011	0.0884

Activities

Activity type	Activity value	Assay description	Source	Reference
log(1/I50) (binding)	= 7.22	Inhibition of susceptible Nephotettix cincticeps Izumi (green rice leafhopper) acetylcholinesterase activity	ChEMBL.	No reference
log(1/I50) (binding)	= 8.02	Inhibition of susceptible Nephotettix cincticeps Ageo (green rice leafhopper) acetylcholinesterase activity	ChEMBL.	No reference

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: CHEMBL2289528

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1804167