TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 391.282 | Formula: C17H15BrN2O2S
H donors: 1 H acceptors: 3 LogP: 4.07 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)SCC(c1onc(n1)c1ccccc1)(O)C
InChi: 1S/C17H15BrN2O2S/c1-17(21,11-23-14-9-7-13(18)8-10-14)16-19-15(20-22-16)12-5-3-2-4-6-12/h2-10,21H,11H2,1H3
InChiKey: SABLWZVBMGEOOA-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
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0178	0.0247	0.0074
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0178	0.0247	0.0111
Trichomonas vaginalis	AGC family protein kinase	0.171	0.3265	0.3145
Onchocerca volvulus	Putative zinc finger protein	0.0141	0.0175	0.5
Trypanosoma cruzi	NIMA-related kinase, putative	0.0178	0.0247	0.0111
Echinococcus granulosus	oxysterol binding protein 1	0.0141	0.0175	0.0261
Echinococcus granulosus	Pleckstrin domain containing protein family B	0.0141	0.0175	0.0261
Echinococcus granulosus	ras specific guanine nucleotide releasing factor	0.0141	0.0175	0.0261
Echinococcus granulosus	serine threonine protein kinase nrc	0.3316	0.6429	0.9587
Echinococcus multilocularis	oxysterol binding protein 9	0.0141	0.0175	0.0253
Loa Loa (eye worm)	hypothetical protein	0.171	0.3265	0.3145
Toxoplasma gondii	protein kinase domain-containing protein	0.0178	0.0247	0.0076
Echinococcus multilocularis	ras specific guanine nucleotide releasing factor	0.0141	0.0175	0.0253
Entamoeba histolytica	PH domain containing protein kinase, putative	0.3457	0.6706	0.6647
Echinococcus granulosus	NDR protein kinase	0.171	0.3265	0.4869
Loa Loa (eye worm)	AGC/PKN protein kinase	0.171	0.3265	0.3145
Echinococcus multilocularis	Ras associated and pleckstrin y	0.0141	0.0175	0.0253
Echinococcus multilocularis	Arf GAP and Pleckstrin domain containing protein	0.0141	0.0175	0.0253
Onchocerca volvulus		0.0141	0.0175	0.5
Echinococcus multilocularis	protein kinase c iota type	0.171	0.3265	0.4865
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Echinococcus multilocularis	serine:threonine protein kinase N2	0.171	0.3265	0.4865
Echinococcus granulosus	oxysterol binding protein 9	0.0141	0.0175	0.0261
Echinococcus multilocularis	arf GAP with coiled coil, ANK repeat and PH	0.0141	0.0175	0.0253
Echinococcus multilocularis	Pleckstrin y	0.0141	0.0175	0.0253
Schistosoma mansoni	serine/threonine-protein kinase	0.3457	0.6706	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.171	0.3265	0.4865
Echinococcus granulosus	Protein kinase C brain isozyme	0.171	0.3265	0.4869
Echinococcus granulosus	oxysterol binding protein 3	0.0141	0.0175	0.0261
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0178	0.0247	0.0111
Echinococcus multilocularis	DCC interacting protein 13 beta	0.0141	0.0175	0.0253
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0178	0.0247	0.0111
Schistosoma mansoni	serine/threonine protein kinase	0.171	0.3265	0.4731
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.3316	0.6429	1
Entamoeba histolytica	protein kinase, putative	0.171	0.3265	0.3145
Echinococcus multilocularis	serine threonine protein kinase	0.171	0.3265	0.4865
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Echinococcus granulosus	Pleckstrin y	0.0141	0.0175	0.0261
Echinococcus granulosus	FERM and pleckstrin domain containing protein	0.0141	0.0175	0.0261
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.171	0.3265	0.4865
Echinococcus granulosus	nervana 2	0.3279	0.6356	0.9479
Echinococcus granulosus	collagen type iv alpha 3 binding protein	0.0141	0.0175	0.0261
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.4989	0.9723	0.9718
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.171	0.3265	0.4869
Leishmania major	protein kinase, putative	0.0178	0.0247	0.2791
Echinococcus multilocularis	type II inositol 3,4 bisphosphate 4 phosphatase	0.0141	0.0175	0.0253
Echinococcus multilocularis	Oxysterol binding protein 11	0.0141	0.0175	0.0253
Brugia malayi	p70 ribosomal S6 kinase beta	0.4989	0.9723	0.9718
Echinococcus granulosus	pdz domain containing protein	0.0141	0.0175	0.0261
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.171	0.3265	0.4865
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.3457	0.6706	1
Onchocerca volvulus		0.0141	0.0175	0.5
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.171	0.3265	0.4869
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.3279	0.6356	0.9479
Echinococcus multilocularis	pleckstrin y domain containing family A	0.0141	0.0175	0.0253
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0178	0.0247	0.0074
Brugia malayi	Protein kinase domain containing protein	0.171	0.3265	0.3145
Echinococcus granulosus	GRB2 associated binding protein 3	0.0141	0.0175	0.0261
Echinococcus multilocularis	Pleckstrin y	0.0141	0.0175	0.0253
Schistosoma mansoni	atypical protein kinase C	0.171	0.3265	0.4731
Entamoeba histolytica	protein kinase, putative	0.0178	0.0247	0.0074
Echinococcus multilocularis	collagen type iv alpha 3 binding protein	0.0141	0.0175	0.0253
Echinococcus granulosus	calcium dependent secretion activator 1	0.0141	0.0175	0.0261
Echinococcus granulosus	Arf GAP and Pleckstrin domain containing protein	0.0141	0.0175	0.0261
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.3316	0.6429	0.9576
Toxoplasma gondii	calcium dependent protein kinase CDPK7	0.0178	0.0247	0.0076
Echinococcus granulosus	arf GAP with SH3 domain ANK repeat and PH	0.0141	0.0175	0.0261
Entamoeba histolytica	hypothetical protein	0.0178	0.0247	0.0074
Trichomonas vaginalis	ribosomal protein S6 kinase, 90kD, polypeptide, putative	0.0178	0.0247	0.0074
Schistosoma mansoni	serine/threonine protein kinase	0.171	0.3265	0.4731
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.171	0.3265	0.3145
Echinococcus granulosus	protein kinase c epsilon type	0.171	0.3265	0.4869
Echinococcus multilocularis	Pleckstrin domain containing protein, family B	0.0141	0.0175	0.0253
Echinococcus granulosus	nervana 2	0.3279	0.6356	0.9479
Echinococcus granulosus	myotubularin protein 13	0.0141	0.0175	0.0261
Entamoeba histolytica	protein kinase, putative	0.4989	0.9723	0.9718
Echinococcus multilocularis	nervana 2	0.3279	0.6356	0.9478
Onchocerca volvulus	outspread protein homolog	0.0141	0.0175	0.5
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.3316	0.6429	0.9587
Entamoeba histolytica	PH domain containing protein kinase, putative	0.3457	0.6706	0.6647
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0178	0.0247	0.0111
Brugia malayi	Hr1 repeat family protein	0.171	0.3265	0.3145
Schistosoma mansoni	serine/threonine kinase	0.171	0.3265	0.4731
Entamoeba histolytica	hypothetical protein	0.0178	0.0247	0.0074
Leishmania major	protein kinase, putative	0.0178	0.0247	0.2791
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.171	0.3265	0.4865
Entamoeba histolytica	protein kinase 2, putative	0.3316	0.6429	0.6365
Brugia malayi	Protein kinase domain containing protein	0.171	0.3265	0.3145
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.171	0.3265	0.4869
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Trypanosoma cruzi	serine/threonine-protein kinase NRKB, putative	0.0178	0.0247	0.0111
Leishmania major	rac serine-threonine kinase, putative,protein kinase, putative	0.0178	0.0247	0.2791
Echinococcus granulosus	dynamin 1	0.0141	0.0175	0.0261
Echinococcus multilocularis	nervana 2	0.3279	0.6356	0.9478
Onchocerca volvulus		0.0141	0.0175	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Entamoeba histolytica	protein kinase, putative	0.0178	0.0247	0.0074
Giardia lamblia	Kinase, AGC PKA	0.3316	0.6429	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Echinococcus multilocularis	calcium dependent secretion activator 1	0.0141	0.0175	0.0253
Echinococcus granulosus	sodium channel protein	0.0273	0.0435	0.0649
Trypanosoma brucei	protein kinase, putative	0.0178	0.0247	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Echinococcus granulosus	serine/threonine protein kinase	0.3457	0.6706	1
Echinococcus multilocularis	actin binding protein anillin	0.0141	0.0175	0.0253
Schistosoma mansoni	serine/threonine protein kinase	0.171	0.3265	0.4731
Schistosoma mansoni	serine/threonine protein kinase	0.171	0.3265	0.4731
Onchocerca volvulus		0.0141	0.0175	0.5
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.3316	0.6429	0.9587
Onchocerca volvulus		0.0141	0.0175	0.5
Echinococcus multilocularis	oxysterol binding protein 3	0.0141	0.0175	0.0253
Echinococcus granulosus	Pleckstrin y	0.0141	0.0175	0.0261
Echinococcus granulosus	beta 1 syntrophin	0.0141	0.0175	0.0261
Echinococcus multilocularis	dynamin 1	0.0141	0.0175	0.0253
Echinococcus granulosus	Pleckstrin y	0.0141	0.0175	0.0261
Entamoeba histolytica	protein kinase, putative	0.0178	0.0247	0.0074
Onchocerca volvulus	Abnormal cell migration protein 10 homolog	0.0141	0.0175	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.171	0.3265	0.3145
Echinococcus multilocularis	FERM and pleckstrin domain containing protein	0.0141	0.0175	0.0253
Trypanosoma cruzi	NIMA-related kinase, putative	0.0178	0.0247	0.0111
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0273	0.0435	1
Echinococcus multilocularis	myotubularin protein 13	0.0141	0.0175	0.0253
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.3279	0.6356	0.9478
Schistosoma mansoni	serine/threonine-protein kinase	0.3457	0.6706	1
Echinococcus granulosus	arf GAP with coiled coil ANK repeat and PH	0.0141	0.0175	0.0261
Echinococcus multilocularis	sodium channel protein	0.0273	0.0435	0.0642
Echinococcus multilocularis	Glutaredoxin protein 5	0.3279	0.6356	0.9478
Toxoplasma gondii	AGC kinase	0.4989	0.9723	1
Echinococcus multilocularis	rac serine:threonine kinase	0.3457	0.6706	1
Trichomonas vaginalis	AGC family protein kinase	0.171	0.3265	0.3145
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Trypanosoma brucei	serine/threonine-protein kinase NrkA	0.0178	0.0247	0.0074
Echinococcus multilocularis	beta 1 syntrophin	0.0141	0.0175	0.0253
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Plasmodium falciparum	calcium-dependent protein kinase 7	0.0178	0.0247	0.0116
Leishmania major	folate/biopterin transporter, putative	0.0178	0.0247	0.2791
Entamoeba histolytica	protein kinase, putative	0.0178	0.0247	0.0074
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.171	0.3265	0.3145
Trypanosoma brucei	Serine/threonine-protein kinase NEK21, putative	0.0178	0.0247	0.0074
Brugia malayi	protein kinase C II.	0.171	0.3265	0.3145
Echinococcus multilocularis	Rho GTPase activating protein 24	0.0141	0.0175	0.0253
Echinococcus granulosus	DCC interacting protein 13 beta	0.0141	0.0175	0.0261
Onchocerca volvulus		0.0141	0.0175	0.5
Plasmodium vivax	calcium-dependent protein kinase 7, putative	0.0178	0.0247	0.0116
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0178	0.0247	0.0111
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0178	0.0247	0.0074
Loa Loa (eye worm)	AGC/NDR protein kinase	0.171	0.3265	0.3145
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	0.0178	0.0247	0.2791
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.171	0.3265	0.3145
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0178	0.0247	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0273	0.0435	0.0649
Entamoeba histolytica	p21-activated kinase	0.0178	0.0247	0.0074
Echinococcus granulosus	type II inositol 34 bisphosphate 4 phosphatase	0.0141	0.0175	0.0261
Schistosoma mansoni	serine/threonine protein kinase	0.171	0.3265	0.4731
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.3316	0.6429	1
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Trypanosoma brucei	serine/threonine-protein kinase NRKB, putative	0.0178	0.0247	0.0074
Echinococcus multilocularis	serine:threonine protein kinase 38	0.171	0.3265	0.4865
Trichomonas vaginalis	3-phosphoinositide dependent protein kinase-1, putative	0.0178	0.0247	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.185	0.3542	0.3427
Echinococcus granulosus	pleckstrin y domain containing family A	0.0141	0.0175	0.0261
Schistosoma mansoni	serine/threonine protein kinase	0.171	0.3265	0.4731
Onchocerca volvulus		0.0141	0.0175	0.5
Entamoeba histolytica	protein kinase, putative	0.0178	0.0247	0.0074
Echinococcus granulosus	protein kinase c iota type	0.171	0.3265	0.4869
Echinococcus multilocularis	pdz domain containing protein	0.0141	0.0175	0.0253
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Echinococcus granulosus	cytohesin 1	0.0141	0.0175	0.0261
Trypanosoma brucei	NEK family Serine/threonine-protein kinase, putative	0.0178	0.0247	0.0074
Echinococcus granulosus	protein kinase C gamma type	0.171	0.3265	0.4869
Onchocerca volvulus	Protein melted homolog	0.0141	0.0175	0.5
Trypanosoma cruzi	Protein kinase B	0.3457	0.6706	1
Schistosoma mansoni	serine/threonine protein kinase	0.171	0.3265	0.4731
Echinococcus multilocularis	oxysterol binding protein 1	0.0141	0.0175	0.0253
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.1673	0.3192	0.3071
Echinococcus granulosus	Rho GTPase activating protein 24	0.0141	0.0175	0.0261
Onchocerca volvulus	Putative neuronal RhoA GEF protein	0.0141	0.0175	0.5
Echinococcus multilocularis	cytohesin 1	0.0141	0.0175	0.0253
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0178	0.0247	0.0111
Echinococcus multilocularis	GRB2 associated binding protein 3	0.0141	0.0175	0.0253
Echinococcus multilocularis	protein kinase c epsilon type	0.171	0.3265	0.4865
Echinococcus granulosus	Oxysterol binding protein 11	0.0141	0.0175	0.0261
Echinococcus granulosus	calcium activated potassium channel	0.0055	0.0005	0.0008
Echinococcus multilocularis	arf GAP with SH3 domain, ANK repeat and PH	0.0141	0.0175	0.0253
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Echinococcus granulosus	Glutaredoxin protein 5	0.3279	0.6356	0.9479
Echinococcus multilocularis	Pleckstrin y	0.0141	0.0175	0.0253
Trichomonas vaginalis	AGC family protein kinase	0.171	0.3265	0.3145
Leishmania major	serine/threonine-protein kinase a, putative	0.0178	0.0247	0.2791
Echinococcus granulosus	serine:threonine protein kinase N2	0.171	0.3265	0.4869
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.0247	0.0074
Trypanosoma cruzi	NEK family Serine/threonine-protein kinase, putative	0.0178	0.0247	0.0111
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.171	0.3265	0.4865

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 100 uM	Cytotoxicity against human androgen-independent DU145 cells by MTT assay	ChEMBL.	22326399

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: CHEMBL1955947

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 1620321