TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 425.298 | Formula: C20H13BrN2O2S
H donors: 2 H acceptors: 3 LogP: 5.21 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Brc1cccc(c1)C(=O)Nc1ccc(c(c1)c1nc2c(s1)cccc2)O
InChi: 1S/C20H13BrN2O2S/c21-13-5-3-4-12(10-13)19(25)22-14-8-9-17(24)15(11-14)20-23-16-6-1-2-7-18(16)26-20/h1-11,24H,(H,22,25)
InChiKey: WTHPPNMCTOWGQL-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	0.0014	0.0215	0.0162
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0129	0.5591	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0398	0.3297
Loa Loa (eye worm)	fibroinase	0.0018	0.0398	0.0497
Mycobacterium ulcerans	lipase LipD	0.0035	0.1208	0.5
Brugia malayi	beta-lactamase family protein	0.0035	0.1208	0.2161
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.5591	0.7503
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0398	0.0713
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0018	0.0398	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.1845	0.2477
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.0127	0.1049
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.0398	1
Mycobacterium leprae	Probable lipase LipE	0.0035	0.1208	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0398	0.3297
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0398	0.0535
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.1208	0.1622
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2707	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0191	0.0118
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2707	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0398	0.3297
Loa Loa (eye worm)	hypothetical protein	0.0028	0.09	0.1415
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0398	0.0535
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0018	0.0398	0.0535
Loa Loa (eye worm)	MH2 domain-containing protein	0.0126	0.5435	0.9715
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0018	0.0398	0.0497
Brugia malayi	cathepsin L-like precursor	0.0012	0.0127	0.0227
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.1208	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.1208	0.4463
Onchocerca volvulus		0.0018	0.0398	0.2512
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.1208	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.1208	0.4463
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0398	0.0713
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1208	0.1979
Loa Loa (eye worm)	cysteine protease	0.0018	0.0398	0.0497
Echinococcus granulosus	lamin	0.0028	0.09	0.1208
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2707	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0398	0.3297
Onchocerca volvulus		0.0018	0.0398	0.2512
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.1845	0.3301
Trichomonas vaginalis	esterase, putative	0.0035	0.1208	1
Loa Loa (eye worm)	TAR-binding protein	0.0129	0.5591	1
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.5591	0.7503
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0012	0.0127	0.0227
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.1208	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0398	0.3297
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0398	0.3297
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.1208	0.1622
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.0127	0.1049
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.1845	0.2477
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0018	0.0398	0.0535
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.5591	0.7503
Loa Loa (eye worm)	ctsf protein	0.0018	0.0398	0.0497
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2707	1
Leishmania major	cathepsin L-like protease	0.0067	0.2707	1
Brugia malayi	Papain family cysteine protease containing protein	0.0018	0.0398	0.0713
Schistosoma mansoni	lamin	0.0028	0.09	0.1208
Schistosoma mansoni	hypothetical protein	0.0169	0.7451	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1208	0.1979
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0398	0.3297
Brugia malayi	beta-lactamase	0.0035	0.1208	0.2161
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0286	0.0511
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2707	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0067	0.2707	1
Onchocerca volvulus	Cathepsin F homolog	0.0018	0.0398	0.2512
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0398	0.3297
Schistosoma mansoni	intermediate filament proteins	0.0028	0.09	0.1208
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0191	0.0118
Onchocerca volvulus		0.0028	0.09	0.715
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0398	0.0713
Brugia malayi	intermediate filament protein	0.0028	0.09	0.161
Onchocerca volvulus		0.0018	0.0398	0.2512
Schistosoma mansoni	hypothetical protein	0.0169	0.7451	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0286	0.0291
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0398	0.0713
Plasmodium vivax	vivapain-2	0.0018	0.0398	0.3297
Onchocerca volvulus		0.0035	0.1208	1
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.0398	0.2512
Echinococcus multilocularis	geminin	0.0169	0.7451	1
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.09	0.1415
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2707	1
Echinococcus granulosus	intermediate filament protein	0.0028	0.09	0.1208
Echinococcus granulosus	tar DNA binding protein	0.0129	0.5591	0.7503
Brugia malayi	RNA binding protein	0.0129	0.5591	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0398	0.0535
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.1208	0.1622
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0018	0.0398	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1208	0.1979
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0398	0.0535
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.0398	0.3297
Onchocerca volvulus		0.0035	0.1208	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0018	0.0398	0.0497
Brugia malayi	MH2 domain containing protein	0.0126	0.5435	0.9722
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0398	0.0535
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.1845	0.2477
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.1208	0.2161
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0018	0.0398	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.1845	0.2477
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1208	0.1979
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.1208	0.4463
Entamoeba histolytica	cysteine protease, putative	0.0018	0.0398	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0876	0.1371
Onchocerca volvulus		0.0018	0.0398	0.2512
Leishmania major	cathepsin L-like protease	0.0067	0.2707	1
Echinococcus multilocularis	lamin	0.0028	0.09	0.1208
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.2707	1
Brugia malayi	Cathepsin L-like precursor	0.0012	0.0127	0.0227
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.09	0.161
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1208	0.1979
Onchocerca volvulus		0.0028	0.09	0.715
Mycobacterium ulcerans	beta-lactamase	0.0035	0.1208	0.5
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.0215	0.0289
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0398	0.3297
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.1208	0.1979
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0398	0.0713
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0398	0.3297
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.5591	0.7503
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0398	0.3297
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.1208	1
Toxoplasma gondii	ABC1 family protein	0.0035	0.1208	1
Echinococcus granulosus	geminin	0.0169	0.7451	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0398	0.3297
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.0398	1
Echinococcus multilocularis	tar DNA binding protein	0.0129	0.5591	0.7503
Schistosoma mansoni	cathepsin F (C01 family)	0.0012	0.0127	0.017
Entamoeba histolytica	cysteine proteinase, putative	0.0012	0.0127	0.3182
Brugia malayi	Cathepsin L-like precursor	0.0012	0.0127	0.0227
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.1208	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2707	1
Onchocerca volvulus		0.0018	0.0398	0.2512
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.2707	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.0398	0.3297
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2707	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.1208	1
Echinococcus granulosus	cathepsin l1	0.0018	0.0398	0.0535
Brugia malayi	TAR-binding protein	0.0129	0.5591	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.2707	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0398	0.3297
Trypanosoma cruzi	cysteine peptidase, putative	0.0018	0.0398	0.1472
Schistosoma mansoni	lamin	0.0028	0.09	0.1208
Loa Loa (eye worm)	beta-lactamase	0.0035	0.1208	0.1979
Onchocerca volvulus		0.0035	0.1208	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0398	0.3297
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.1845	0.3145
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1845	0.2477
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.1208	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0398	0.0535
Echinococcus granulosus	lamin dm0	0.0028	0.09	0.1208
Loa Loa (eye worm)	transcription factor SMAD2	0.0126	0.5435	0.9715
Leishmania major	hypothetical protein, conserved	0.0035	0.1208	0.3508
Mycobacterium ulcerans	hypothetical protein	0.0035	0.1208	0.5
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.0215	0.0289
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0398	0.3297
Plasmodium vivax	vivapain-2	0.0018	0.0398	0.3297
Brugia malayi	beta-lactamase family protein	0.0035	0.1208	0.2161
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0398	0.3297
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0398	0.3297
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2707	1
Onchocerca volvulus		0.0018	0.0398	0.2512
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.5591	0.7503
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2707	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.1208	1
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.0398	0.2512
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0398	0.3297
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2707	1
Echinococcus multilocularis	musashi	0.0028	0.09	0.1208
Echinococcus multilocularis	cysteine protease	0.0018	0.0398	0.0535
Trypanosoma cruzi	major cysteine proteinase, putative	0.0053	0.2037	0.7525
Brugia malayi	RNA recognition motif domain containing protein	0.0129	0.5591	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.1208	0.5
Leishmania major	cathepsin L-like protease	0.0067	0.2707	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0398	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1208	0.1979
Loa Loa (eye worm)	RNA binding protein	0.0129	0.5591	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0398	0.3297
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.1208	0.1622
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0398	0.3297
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1845	0.2477
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0398	0.0713
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.09	0.1415
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0398	0.3297
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0398	0.3297
Echinococcus multilocularis	cysteine protease	0.0018	0.0398	0.0535
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1845	0.2477
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0061	0.2435	0.8997
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0398	0.3297
Onchocerca volvulus		0.0018	0.0398	0.2512
Echinococcus granulosus	cathepsin l1	0.0012	0.0127	0.017
Echinococcus multilocularis	lamin dm0	0.0028	0.09	0.1208

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 611102