TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 315.344 | Formula: C11H10FN3O3S2
H donors: 1 H acceptors: 5 LogP: 0.86 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CNC(=O)C(S(=O)(=O)c1ccccc1F)c1csnn1
InChi: 1S/C11H10FN3O3S2/c1-13-11(16)10(8-6-19-15-14-8)20(17,18)9-5-3-2-4-7(9)12/h2-6,10H,1H3,(H,13,16)
InChiKey: OSENHLJFPPTFNJ-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
Giardia lamblia	Kinase, CMGC GSK	0.0527	1	1
Echinococcus granulosus	cyclin dependent kinase	0.0243	0.2657	0.0427
Loa Loa (eye worm)	hypothetical protein	0.023	0.233	0.2181
Brugia malayi	Cyclin, N-terminal domain containing protein	0.023	0.233	0.2181
Trypanosoma cruzi	cdc2-related kinase 1	0.0243	0.2657	0.0427
Echinococcus multilocularis	protein kinase shaggy	0.0527	1	1
Echinococcus granulosus	cyclin dependent kinase 1	0.0243	0.2657	0.0427
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0527	1	1
Brugia malayi	cell division control protein 2 homolog	0.0243	0.2657	0.2515
Plasmodium falciparum	glycogen synthase kinase 3	0.0527	1	1
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0243	0.2657	0.0427
Entamoeba histolytica	protein kinase, putative	0.0527	1	1
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0527	1	1
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0368	0.5887	0.4638
Trichomonas vaginalis	CMGC family protein kinase	0.0243	0.2657	0.2657
Trichomonas vaginalis	cyclins, putative	0.023	0.233	0.233
Trichomonas vaginalis	CMGC family protein kinase	0.0243	0.2657	0.2657
Schistosoma mansoni	cyclin-dependent kinase 5 activator	0.0307	0.4321	0.2596
Trichomonas vaginalis	cyclin B, putative	0.023	0.233	0.233
Trichomonas vaginalis	cyclins, putative	0.023	0.233	0.233
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0527	1	1
Loa Loa (eye worm)	cyclin domain-containing protein	0.0368	0.5887	0.5807
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0527	1	1
Trichomonas vaginalis	cyclins, putative	0.023	0.233	0.233
Echinococcus multilocularis	cyclin dependent kinase 5	0.0243	0.2657	0.0427
Onchocerca volvulus		0.0527	1	1
Giardia lamblia	Kinase, CMGC GSK	0.0527	1	1
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0527	1	1
Echinococcus granulosus	cyclin dependent kinase 5 activator 1	0.0307	0.4321	0.2596
Loa Loa (eye worm)	hypothetical protein	0.0235	0.2462	0.2316
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0368	0.5887	0.5807
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0527	1	1
Trypanosoma brucei	protein kinase, putative	0.0527	1	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.0243	0.2657	0.0427
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0243	0.2657	0.0427
Loa Loa (eye worm)	hypothetical protein	0.0307	0.4321	0.4211
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0243	0.2657	0.2515
Trypanosoma cruzi	cdc2-related kinase 3	0.0243	0.2657	0.0427
Trichomonas vaginalis	cyclin B, putative	0.023	0.233	0.233
Brugia malayi	Protein kinase domain containing protein	0.0243	0.2657	0.2515
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0527	1	1
Giardia lamblia	Kinase, CMGC CDK	0.0243	0.2657	0.0427
Echinococcus multilocularis	cyclin dependent kinase	0.0243	0.2657	0.0427
Trichomonas vaginalis	CMGC family protein kinase	0.0527	1	1
Entamoeba histolytica	protein kinase domain containing protein	0.0527	1	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.0243	0.2657	0.0427
Entamoeba histolytica	cell division protein kinase 2, putative	0.0243	0.2657	0.0427
Trypanosoma cruzi	cdc2-related kinase 3	0.0243	0.2657	0.0427
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0368	0.5887	0.4638
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0527	1	1
Trichomonas vaginalis	cyclin B, putative	0.023	0.233	0.233
Schistosoma mansoni	serine/threonine protein kinase	0.0243	0.2657	0.0427
Echinococcus multilocularis	cyclin dependent kinase 5 activator 1	0.0307	0.4321	0.2596
Trypanosoma brucei	cdc2-related kinase 1	0.0243	0.2657	0.0427
Schistosoma mansoni	cyclin B3	0.0368	0.5887	0.4638
Trichomonas vaginalis	cyclin B, putative	0.023	0.233	0.233
Trypanosoma cruzi	cdc2-related kinase 1	0.0243	0.2657	0.0427
Brugia malayi	Cyclin, N-terminal domain containing protein	0.023	0.233	0.2181
Trypanosoma brucei	cdc2-related kinase 3	0.0243	0.2657	0.0427
Trichomonas vaginalis	cyclins, putative	0.023	0.233	0.233
Echinococcus granulosus	cyclin dependent kinase 5	0.0243	0.2657	0.0427
Echinococcus multilocularis	cyclin dependent kinase 1	0.0243	0.2657	0.0427
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0527	1	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0243	0.2657	0.2515
Trichomonas vaginalis	CMGC family protein kinase	0.0527	1	1
Loa Loa (eye worm)	hypothetical protein	0.023	0.233	0.2181
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0243	0.2657	0.0427
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0243	0.2657	0.2515
Entamoeba histolytica	protein kinase domain containing protein	0.0527	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0243	0.2657	0.0427
Echinococcus granulosus	protein kinase shaggy	0.0527	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0243	0.2657	0.2657
Trichomonas vaginalis	cyclin A, putative	0.023	0.233	0.233
Giardia lamblia	Kinase, CMGC CDK	0.0243	0.2657	0.0427

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 82 %	Antiviral activity against TMV at 500 mg/L	ChEMBL.	17055269

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.

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Detailed information for compound 415158