TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 381.244 | Formula: C15H13BrN2O3S
H donors: 1 H acceptors: 3 LogP: 4.52 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1c(Br)sc2c1CCCC2)Nc1ccc(cc1)[N+](=O)[O-]
InChi: 1S/C15H13BrN2O3S/c16-14-13(11-3-1-2-4-12(11)22-14)15(19)17-9-5-7-10(8-6-9)18(20)21/h5-8H,1-4H2,(H,17,19)
InChiKey: CADFDWQESAPCGM-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
Brugia malayi	Glutamate receptor 2 precursor	0.0119	0.0296	0.0296
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Trichomonas vaginalis	conserved hypothetical protein	0.0459	0.2004	0.3737
Schistosoma mansoni	hypothetical protein	0.0066	0.0026	0.0026
Toxoplasma gondii	subtilisin SUB5	0.0101	0.0205	0.5
Echinococcus granulosus	Furin 1	0.0615	0.2792	0.2792
Echinococcus granulosus	dnaJ subfamily B	0.0406	0.1737	0.1737
Brugia malayi	Hypothetical subtilase-type proteinase F21H12.6 in chromosome II	0.0101	0.0205	0.0205
Echinococcus granulosus	nmda type glutamate receptor	0.0121	0.0302	0.0302
Echinococcus multilocularis	epidermal growth factor receptor	0.0289	0.1152	0.1498
Onchocerca volvulus		0.0138	0.0391	1
Brugia malayi	proprotein convertase 2	0.1545	0.7474	0.7474
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0747	0.3454	0.3454
Trichomonas vaginalis	cyclin B, putative	0.0138	0.0391	0.069
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Trypanosoma cruzi	cyclin, putative	0.0138	0.0391	1
Onchocerca volvulus		0.0101	0.0205	0.5231
Schistosoma mansoni	retinoblastoma binding protein	0.007	0.0048	0.0048
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0087	0.0131	0.5
Echinococcus granulosus	glutamate receptor 4	0.0086	0.0125	0.0125
Trichomonas vaginalis	conserved hypothetical protein	0.0459	0.2004	0.3737
Mycobacterium tuberculosis	Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like)	0.0101	0.0205	1
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0087	0.0131	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0459	0.2004	0.3737
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0747	0.3454	0.4491
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4)	0.0101	0.0205	1
Echinococcus granulosus	glutamate receptor 2	0.0103	0.0213	0.0213
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0137	0.0383	0.0498
Toxoplasma gondii	subtilisin SUB2	0.0101	0.0205	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Trichomonas vaginalis	cyclins, putative	0.0138	0.0391	0.069
Schistosoma mansoni	hypothetical protein	0.0101	0.0201	0.0201
Echinococcus multilocularis	membrane bound transcription factor site 1	0.0101	0.0205	0.0266
Echinococcus granulosus	membrane bound transcription factor site 1	0.0101	0.0205	0.0205
Toxoplasma gondii	subtilisin SUB8	0.0101	0.0205	0.5
Loa Loa (eye worm)	hypothetical protein	0.0985	0.4655	0.4655
Trichomonas vaginalis	cyclin A, putative	0.0138	0.0391	0.069
Toxoplasma gondii	subtilisin SUB1	0.0101	0.0205	0.5
Leishmania major	cyclin	0.0138	0.0391	1
Echinococcus multilocularis	Furin 1	0.0615	0.2792	0.363
Trichomonas vaginalis	conserved hypothetical protein	0.0459	0.2004	0.3737
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0615	0.2792	0.5227
Trichomonas vaginalis	cyclins, putative	0.0138	0.0391	0.069
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0138	0.0391	1
Brugia malayi	Membrane-bound transcription factor site-1 protease precursor	0.0101	0.0205	0.0205
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0119	0.0296	0.0385
Plasmodium falciparum	subtilisin-like protease 2	0.0101	0.0205	0.5
Entamoeba histolytica	cyclin, putative	0.0138	0.0391	0.5
Loa Loa (eye worm)	proprotein convertase 2	0.0615	0.2792	0.2792
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Trypanosoma brucei	subtilisin peptidase	0.0101	0.0205	0.0215
Echinococcus multilocularis	glutamate receptor 4	0.0086	0.0125	0.0163
Toxoplasma gondii	subtilisin SUB12	0.0101	0.0205	0.5
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0289	0.1152	0.1152
Brugia malayi	Trypsin family protein	0.0109	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0747	0.3454	0.3454
Trypanosoma cruzi	cyclin, putative	0.0138	0.0391	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0615	0.2792	0.5227
Trichomonas vaginalis	conserved hypothetical protein	0.007	0.0048	0.0041
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Mycobacterium ulcerans	membrane-anchored serine protease (mycosin), MycP4	0.0101	0.0205	1
Echinococcus multilocularis	glutamate receptor 2	0.0103	0.0213	0.0277
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0615	0.2792	0.5227
Loa Loa (eye worm)	hypothetical protein	0.007	0.0048	0.0048
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0101	0.0205	0.0205
Trichomonas vaginalis	cyclins, putative	0.0095	0.0171	0.0274
Mycobacterium leprae	PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5)	0.0101	0.0205	0.5
Schistosoma mansoni	hypothetical protein	0.0459	0.2004	0.2004
Echinococcus granulosus	neuroendocrine convertase 2	0.1545	0.7474	0.7474
Echinococcus granulosus	glutamate receptor 2	0.0137	0.0383	0.0383
Plasmodium vivax	subtilisin-like protease 2, putative	0.0101	0.0205	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0615	0.2792	0.5227
Trichomonas vaginalis	conserved hypothetical protein	0.0459	0.2004	0.3737
Trichomonas vaginalis	conserved hypothetical protein	0.0459	0.2004	0.3737
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.2047	1	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Toxoplasma gondii	subtilisin SUB10	0.0101	0.0205	0.5
Trypanosoma brucei	mitotic cyclin 6	0.0138	0.0391	1
Toxoplasma gondii	subtilisin SUB11	0.0101	0.0205	0.5
Plasmodium vivax	subtilisin-like protease 1	0.0101	0.0205	0.5
Echinococcus granulosus	glutamate receptor 1	0.0086	0.0125	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0101	0.0101
Echinococcus multilocularis	neuroendocrine convertase 2	0.1545	0.7474	0.9718
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.0205	0.0338
Trichomonas vaginalis	conserved hypothetical protein	0.0459	0.2004	0.3737
Echinococcus multilocularis		0.1588	0.7691	1
Echinococcus granulosus	furin	0.2047	1	1
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.0514	0.2282	0.4262
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.0205	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0241	0.0241
Toxoplasma gondii	subtilisin SUB4	0.0101	0.0205	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0615	0.2792	0.5227
Schistosoma mansoni	tyrosine kinase	0.0289	0.1152	0.1152
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3)	0.0101	0.0205	1
Mycobacterium ulcerans	membrane-anchored mycosin MycP3	0.0101	0.0205	1
Plasmodium vivax	subtilisin-like serine protease, putative	0.0101	0.0205	0.5
Brugia malayi	Subtilase family protein	0.0101	0.0205	0.0205
Onchocerca volvulus		0.0066	0.0026	0.0664
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0205	0.0205
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0137	0.0383	0.0383
Trypanosoma brucei	serine peptidase, clan SB, family S8-like protein	0.0101	0.0205	0.0215
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.0101	0.0205	0.0266
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0121	0.0302	0.0392
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1117	0.5318	1
Giardia lamblia	Furin precursor putative serine protease	0.0514	0.2282	0.8971
Trichomonas vaginalis	conserved hypothetical protein	0.0459	0.2004	0.3737
Echinococcus granulosus	epidermal growth factor receptor	0.0289	0.1152	0.1152
Plasmodium falciparum	subtilisin-like protease 1	0.0101	0.0205	0.5
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0138	0.0391	0.0391
Trichomonas vaginalis	cyclin B, putative	0.0138	0.0391	0.069
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0119	0.0296	0.0296
Echinococcus multilocularis	glutamate receptor 2	0.0119	0.0296	0.0385
Loa Loa (eye worm)	glutamate receptor 1	0.0119	0.0296	0.0296
Echinococcus granulosus	wd40 repeat	0.007	0.0048	0.0048
Echinococcus multilocularis	protein will die slowly	0.0066	0.0026	0.0034
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.0101	0.0205	0.0205
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0138	0.0391	1
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.0205	0.0338
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Mycobacterium leprae	PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3)	0.0101	0.0205	0.5
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.0615	0.2792	0.2792
Giardia lamblia	High cysteine membrane protein Group 2	0.0557	0.2498	1
Brugia malayi	Glutamate receptor 1 precursor	0.0119	0.0296	0.0296
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.0101	0.0205	0.0205
Trichomonas vaginalis	retinoblastoma binding protein, putative	0.007	0.0048	0.0041
Echinococcus multilocularis	glutamate receptor 2	0.0137	0.0383	0.0498
Brugia malayi	neuroendocrine convertase 1 precursor	0.1894	0.9231	0.9231
Echinococcus granulosus	cyclin B	0.0138	0.0391	0.0391
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Loa Loa (eye worm)	WD40 repeat protein	0.0066	0.0026	0.0026
Mycobacterium leprae	Possible secreted protease	0.0101	0.0205	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0463	0.2025	0.2633
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.0459	0.2004	0.3737
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0157	0.0483	0.0483
Toxoplasma gondii	subtilisin SUB9	0.0101	0.0205	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1117	0.5318	1
Loa Loa (eye worm)	endoprotease bli-4	0.2047	1	1
Brugia malayi	Will die slowly protein	0.0066	0.0026	0.0026
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.0514	0.2282	0.4262
Loa Loa (eye worm)	hypothetical protein	0.0404	0.1729	0.1729
Brugia malayi	Furin-like cysteine rich region family protein	0.0289	0.1152	0.1152
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0125	0.0125
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.0205	0.0338
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Chlamydia trachomatis	glutamine binding protein	0.0087	0.0131	0.5
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0087	0.0131	0.5
Echinococcus granulosus	neuropeptide FF receptor 2	0.0747	0.3454	0.3454
Mycobacterium ulcerans	proline rich membrane-anchored mycosin MycP5	0.0101	0.0205	1
Trichomonas vaginalis	conserved hypothetical protein	0.0459	0.2004	0.3737
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0109	0.0241	0.0241
Schistosoma mansoni	furin-1 (S08 family)	0.1031	0.4887	0.4887
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0101	0.0205	0.0205
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Onchocerca volvulus		0.0109	0.0241	0.617
Toxoplasma gondii	subtilisin SUB6	0.0101	0.0205	0.5
Toxoplasma gondii	subtilisin SUB7	0.0101	0.0205	0.5
Loa Loa (eye worm)	subtilase	0.0101	0.0205	0.0205
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.0205	0.0338
Brugia malayi	Hypothetical WD-repeat protein F21H12.1 in chromosome II	0.007	0.0048	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0125	0.0125
Schistosoma mansoni	cyclin B	0.0138	0.0391	0.0391
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0157	0.0483	0.0863
Trichomonas vaginalis	cyclins, putative	0.0138	0.0391	0.069
Trichomonas vaginalis	cyclin B, putative	0.0138	0.0391	0.069
Echinococcus multilocularis	cyclin B	0.0138	0.0391	0.0509
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.1117	0.5318	0.5318
Echinococcus multilocularis	dnaJ subfamily B	0.0406	0.1737	0.2258
Echinococcus granulosus	neuropeptides capa receptor	0.0463	0.2025	0.2025
Trichomonas vaginalis	hypothetical protein	0.0459	0.2004	0.3737
Plasmodium falciparum	subtilisin-like protease 3	0.0101	0.0205	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0615	0.2792	0.5227
Loa Loa (eye worm)	hypothetical protein	0.2047	1	1
Trypanosoma cruzi	cyclin 6, putative	0.0138	0.0391	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0109	0.0241	0.0241
Trichomonas vaginalis	cyclins, putative	0.0138	0.0391	0.069
Trichomonas vaginalis	cyclin B, putative	0.0138	0.0391	0.069
Trichomonas vaginalis	conserved hypothetical protein	0.0459	0.2004	0.3737
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0125	0.0125
Echinococcus granulosus	protein will die slowly	0.0066	0.0026	0.0026
Echinococcus multilocularis	nmda type glutamate receptor	0.0121	0.0302	0.0392
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Echinococcus multilocularis	wd40 repeat	0.007	0.0048	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0391	0.0391
Trichomonas vaginalis	conserved hypothetical protein	0.0459	0.2004	0.3737
Brugia malayi	celfurPC protein	0.1588	0.7691	0.7691
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0391	0.0391
Onchocerca volvulus		0.0099	0.0193	0.4927
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0138	0.0391	0.0391
Mycobacterium tuberculosis	Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5)	0.0101	0.0205	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.1117	0.5318	0.6914
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0101	0.0205	0.0338
Schistosoma mansoni	hypothetical protein	0.0406	0.1737	0.1737

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 909091