TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 298.341 | Formula: C10H10N4O3S2
H donors: 2 H acceptors: 5 LogP: 1.75 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1scnn1
InChi: 1S/C10H10N4O3S2/c1-7-2-4-8(5-3-7)19(16,17)14-9(15)12-10-13-11-6-18-10/h2-6H,1H3,(H2,12,13,14,15)
InChiKey: KBZKSOIIJUSGER-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	0.0257	0.253	0.4848
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0257	0.253	0.2517
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0056	0.0018	0.5
Brugia malayi	Doublecortin family protein	0.0257	0.253	1
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0018	0.5
Echinococcus multilocularis	Polycystic kidney disease protein	0.0257	0.253	0.2517
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0257	0.253	0.2517
Brugia malayi	hypothetical protein	0.0257	0.253	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0257	0.253	0.2517
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0056	0.0018	0.5
Brugia malayi	hypothetical protein	0.0165	0.138	0.5455
Schistosoma mansoni	rab6-interacting	0.0257	0.253	0.2517
Brugia malayi	hypothetical protein	0.0257	0.253	1
Schistosoma mansoni	lipoxygenase	0.0854	1	1
Schistosoma mansoni	lipoxygenase	0.0392	0.4223	0.4213
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0056	0.0018	0.5
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0056	0.0018	0.5
Echinococcus granulosus	Polycystic kidney disease protein	0.0257	0.253	0.2517
Brugia malayi	MAP kinase sur-1	0.0056	0.0018	0.007
Echinococcus granulosus	lipoxygenase domain containing protein	0.0257	0.253	0.2517
Schistosoma mansoni	loxhd1	0.0257	0.253	0.2517
Loa Loa (eye worm)	doublecortin family protein	0.0257	0.253	0.4848
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0056	0.0018	0.5
Schistosoma mansoni	polycystin 1-related	0.0257	0.253	0.2517
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0854	1	1
Schistosoma mansoni	rab6-interacting	0.0257	0.253	0.2517
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0018	0.5
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0056	0.0018	0.5
Schistosoma mansoni	hypothetical protein	0.0257	0.253	0.2517
Plasmodium vivax	multidomain scavenger receptor, putative	0.0257	0.253	0.5
Plasmodium falciparum	LCCL domain-containing protein	0.0257	0.253	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0018	0.5
Onchocerca volvulus		0.0257	0.253	1
Loa Loa (eye worm)	hypothetical protein	0.0257	0.253	0.4848
Schistosoma mansoni	d-amino acid oxidase	0.0472	0.5219	0.521
Loa Loa (eye worm)	hypothetical protein	0.0165	0.138	0.2644
Echinococcus multilocularis	RUN	0.0257	0.253	0.2517
Giardia lamblia	Kinase, CMGC MAPK	0.0056	0.0018	0.5
Loa Loa (eye worm)	hypothetical protein	0.0472	0.5219	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.0018	0.5
Echinococcus granulosus	RUN	0.0257	0.253	0.2517
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0056	0.0018	0.0034
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0472	0.5219	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0018	0.5
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0472	0.5219	0.5
Trypanosoma brucei	protein kinase, putative	0.0056	0.0018	0.5
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.0018	0.5
Onchocerca volvulus		0.0257	0.253	1
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0432	0.4727	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 20 ug ml-1	Concentration required to inhibit growth of CCRF-CEM cells in culture for 72 h to 50% of control growth	ChEMBL.	2391684
IC50 (functional)	> 20 ug ml-1	Concentration required to inhibit growth of CCRF-CEM cells in culture for 72 h to 50% of control growth	ChEMBL.	2391684
Inhibition (functional)	= 16 %	Antitumor activity in vivo against the 6C3HED lymphosarcoma, dosed for 10 days at 300 mg/kg	ChEMBL.	2391684

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 132684