TDR Targets

Basic information

Technical information

TDR Targets ID: 660485
Name: STK115238
MW: 461.375 | Formula: C20H21BrN4O2S
H donors: 1 H acceptors: 3 LogP: 4.16 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)Cc1nnc(n1C)SCC(=O)Nc1ccc(c(c1)C)Br
InChi: 1S/C20H21BrN4O2S/c1-13-10-15(6-9-17(13)21)22-19(26)12-28-20-24-23-18(25(20)2)11-14-4-7-16(27-3)8-5-14/h4-10H,11-12H2,1-3H3,(H,22,26)
InChiKey: GABVZJFQCAVWSF-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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0601	0.0561
Brugia malayi	MH2 domain containing protein	0.0016	0.0172	0.0127
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0601	0.0561
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0708	1	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0337	0.4728	1
Onchocerca volvulus		0.0708	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0601	0.0558
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0042	0.0042
Loa Loa (eye worm)	MH1 domain-containing protein	0.0016	0.0172	0.0127
Loa Loa (eye worm)	Smad1	0.0016	0.0172	0.0127
Brugia malayi	MH1 domain containing protein	0.0009	0.007	0.0024
Brugia malayi	MH1 domain containing protein	0.0009	0.007	0.0024
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0708	1	0.5
Echinococcus granulosus	smad	0.0016	0.0172	0.0131
Onchocerca volvulus		0.0028	0.0339	0.0295
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0601	0.0601
Echinococcus granulosus	mothers against decapentaplegic 2	0.0007	0.0046	0.0004
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0601	0.0561
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0708	1	1
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0708	1	1
Brugia malayi	Smad1	0.0016	0.0172	0.0127
Echinococcus multilocularis	cpg binding protein	0.0029	0.0362	0.0321
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0172	0.0172
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0016	0.0172	0.0131
Echinococcus multilocularis	dnaJ subfamily B	0.0397	0.558	0.5562
Loa Loa (eye worm)	MH2 domain-containing protein	0.0016	0.0172	0.0127
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0339	0.0295
Echinococcus granulosus	thymidylate synthase	0.0708	1	1
Loa Loa (eye worm)	nuclear factor I	0.0009	0.007	0.0024
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0601	0.0601
Brugia malayi	MH1 domain containing protein	0.0016	0.0172	0.0127
Echinococcus granulosus	mothers against decapentaplegic 6	0.0007	0.0046	0.0004
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0339	0.0295
Loa Loa (eye worm)	MH2 domain-containing protein	0.0237	0.3304	0.3274
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0708	1	0.5
Schistosoma mansoni	Smad4	0.0016	0.0172	0.0172
Loa Loa (eye worm)	thymidylate synthase	0.0708	1	1
Echinococcus granulosus	Smad4	0.0016	0.0172	0.0131
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0066	0.002
Schistosoma mansoni	Smad4	0.0007	0.0046	0.0046
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0172	0.0172
Brugia malayi	MH2 domain containing protein	0.0016	0.0172	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0009	0.007	0.0024
Echinococcus multilocularis	thymidylate synthase	0.0708	1	1
Schistosoma mansoni	Smad4	0.0007	0.0046	0.0046
Echinococcus multilocularis	smad	0.0016	0.0172	0.0131
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0601	0.0601
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0708	1	1
Echinococcus granulosus	cpg binding protein	0.0029	0.0362	0.0321
Schistosoma mansoni	cpg binding protein	0.0029	0.0362	0.0362
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0066	0.0024
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0016	0.0172	0.0131
Schistosoma mansoni	smad	0.0016	0.0172	0.0172
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0066	0.0024
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0708	1	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0783	0.0783
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0601	0.0558
Brugia malayi	hypothetical protein	0.0337	0.4728	0.4703
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0708	1	0.5
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0007	0.0046	0.0004
Brugia malayi	MH1 domain containing protein	0.0016	0.0172	0.0127
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0016	0.0172	0.0131
Schistosoma mansoni	hypothetical protein	0.0397	0.558	0.558
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0016	0.0172	0.0172
Echinococcus multilocularis	Smad4	0.0016	0.0172	0.0131
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0708	1	0.5
Brugia malayi	MH2 domain containing protein	0.0237	0.3304	0.3274
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0007	0.0046	0.0004
Schistosoma mansoni	cpg binding protein	0.0029	0.0362	0.0362
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0601	0.0561
Echinococcus granulosus	mothers against decapentaplegic 5	0.0016	0.0172	0.0131
Loa Loa (eye worm)	transcription factor SMAD2	0.0237	0.3304	0.3274
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0172	0.0172
Echinococcus granulosus	dnaJ subfamily B	0.0397	0.558	0.5562
Mycobacterium ulcerans	thymidylate synthase	0.0708	1	0.5
Schistosoma mansoni	cpg binding protein	0.0028	0.0339	0.0339
Schistosoma mansoni	smad	0.0007	0.0046	0.0046
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0064	0.0019

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 660485