TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 454.361 | Formula: C17H16BrN3O3S2
H donors: 0 H acceptors: 3 LogP: 3.42 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc2c(c1)s/c(=N/C(=O)c1ccc(cc1)S(=O)(=O)N(C)C)/n2C
InChi: 1S/C17H16BrN3O3S2/c1-20(2)26(23,24)13-7-4-11(5-8-13)16(22)19-17-21(3)14-9-6-12(18)10-15(14)25-17/h4-10H,1-3H3/b19-17+
InChiKey: FQVFWQNELJUITN-HTXNQAPBSA-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
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.3115	1
Leishmania major	cathepsin L-like protease	0.0063	0.3115	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0482	0.0774
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.2167	0.2167
Loa Loa (eye worm)	hypothetical protein	0.0026	0.1026	0.1649
Schistosoma mansoni	cathepsin F (C01 family)	0.0011	0.0172	0.0172
Echinococcus multilocularis	cathepsin L	0.0008	0.0027	0.0027
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.0353	0.0567
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3177	0.3177
Echinococcus granulosus	cathepsin l1	0.0016	0.0482	0.0482
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0016	0.0482	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0016	0.0482	0.0774
Trypanosoma cruzi	cruzipain precursor, putative	0.0063	0.3115	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.3177	0.5102
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0482	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0482	1
Brugia malayi	intermediate filament protein	0.0026	0.1054	0.1693
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0057	0.2805	0.8997
Brugia malayi	TAR-binding protein	0.0064	0.3177	0.5102
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.3115	1
Echinococcus granulosus	intermediate filament protein	0.0026	0.1054	0.1054
Brugia malayi	Papain family cysteine protease containing protein	0.0008	0.0027	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0172	0.0276
Schistosoma mansoni	lamin	0.0026	0.1054	0.1054
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0482	0.0482
Echinococcus multilocularis	geminin	0.0184	1	1
Onchocerca volvulus		0.0026	0.1054	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0273	0.0273
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0482	0.0482
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3177	0.3177
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0011	0.0172	0.0276
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.0482	0.3513
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0011	0.0172	0.3182
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.2167	0.2167
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0482	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0482	0.0482
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3177	0.3177
Entamoeba histolytica	cysteine protease, putative	0.0016	0.0482	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0016	0.0482	1
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0172	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0273	0.0439
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0016	0.0482	0.0482
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0482	1
Loa Loa (eye worm)	ctsf protein	0.0016	0.0482	0.0774
Onchocerca volvulus		0.0026	0.1054	1
Brugia malayi	Papain family cysteine protease containing protein	0.0016	0.0482	0.0774
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.3115	1
Onchocerca volvulus		0.0016	0.0482	0.3513
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0482	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.2167	0.3481
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0246	0.0394
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0482	1
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.1054	0.1693
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.1054	0.1693
Echinococcus multilocularis	cysteine protease	0.0016	0.0482	0.0482
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.0482	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0172	0.0276
Schistosoma mansoni	intermediate filament proteins	0.0026	0.1054	0.1054
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.2167	0.2167
Onchocerca volvulus		0.0016	0.0482	0.3513
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.2167	0.2167
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0016	0.0482	0.0774
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0482	1
Onchocerca volvulus		0.0016	0.0482	0.3513
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0482	0.0774
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.0482	0.3513
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.6226	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.2167	0.3481
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.3177	0.5102
Echinococcus granulosus	lamin	0.0026	0.1054	0.1054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.3115	1
Echinococcus granulosus	cysteine protease	0.0008	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0172	0.0276
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0482	1
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.3177	0.3177
Onchocerca volvulus		0.0016	0.0482	0.3513
Brugia malayi	cathepsin L-like precursor	0.0011	0.0172	0.0276
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0482	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0482	0.0482
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.3177	0.5102
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.3115	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0482	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.2167	0.2167
Echinococcus granulosus	cathepsin L cysteine protease	0.0008	0.0027	0.0027
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.3115	1
Echinococcus granulosus	tar DNA binding protein	0.0064	0.3177	0.3177
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.6226	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0016	0.0482	1
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0172	0.0276
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0016	0.0482	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0016	0.0482	0.1472
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.3115	1
Loa Loa (eye worm)	cysteine protease	0.0016	0.0482	0.0774
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0482	1
Echinococcus multilocularis	musashi	0.0026	0.1054	0.1054
Echinococcus multilocularis	lamin	0.0026	0.1054	0.1054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0482	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3177	0.3177
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.2167	0.2167
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0482	1
Schistosoma mansoni	hypothetical protein	0.0184	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0482	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0008	0.0027	0.0027
Onchocerca volvulus		0.0016	0.0482	0.3513
Echinococcus granulosus	lamin dm0	0.0026	0.1054	0.1054
Onchocerca volvulus		0.0016	0.0482	0.3513
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0482	0.0774
Brugia malayi	RNA binding protein	0.0064	0.3177	0.5102
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.3115	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0482	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0008	0.0027	0.0027
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0016	0.0482	0.0482
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.3115	1
Leishmania major	cathepsin L-like protease	0.0063	0.3115	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0008	0.0027	0.0027
Schistosoma mansoni	lamin	0.0026	0.1054	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0026	0.1054	0.1693
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0246	0.0394
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0482	1
Brugia malayi	MH2 domain containing protein	0.0117	0.6226	1
Echinococcus multilocularis	cysteine protease	0.0016	0.0482	0.0482
Echinococcus granulosus	cathepsin l1	0.0011	0.0172	0.0172
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.3177	0.3177
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0482	0.0482
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0482	0.0482
Onchocerca volvulus	Cathepsin F homolog	0.0016	0.0482	0.3513
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.3115	1
Echinococcus granulosus	cathepsin L	0.0008	0.0027	0.0027
Entamoeba histolytica	cysteine proteinase, putative	0.0011	0.0172	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.3115	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.2351	0.7525
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.3115	1
Brugia malayi	Papain family cysteine protease containing protein	0.0008	0.0027	0.0044
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0482	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0482	0.0774
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0482	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0482	0.0774
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0273	0.0273
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0482	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0482	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0482	0.0774
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.2167	0.2167
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.3115	1
Loa Loa (eye worm)	RNA binding protein	0.0064	0.3177	0.5102
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0482	1
Toxoplasma gondii	cathepsin CPL	0.0016	0.0482	0.5
Schistosoma mansoni	hypothetical protein	0.0184	1	1
Leishmania major	cathepsin L-like protease	0.0063	0.3115	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0016	0.0482	1
Loa Loa (eye worm)	fibroinase	0.0016	0.0482	0.0774
Onchocerca volvulus		0.0016	0.0482	0.3513
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.3115	1
Plasmodium vivax	vivapain-2	0.0016	0.0482	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0011	0.0172	0.3182
Plasmodium vivax	vivapain-2	0.0016	0.0482	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0482	0.0774
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0482	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.1054	0.1693
Echinococcus multilocularis	lamin dm0	0.0026	0.1054	0.1054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0482	1
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.0482	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0353	0.0567

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 611165