TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 374.374 | Formula: C15H14N6O4S
H donors: 2 H acceptors: 7 LogP: 2.85 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)[N+](=O)[O-])CSc1nnc2n1c(C)c(c(n2)O)C
InChi: 1S/C15H14N6O4S/c1-8-9(2)20-14(17-13(8)23)18-19-15(20)26-7-12(22)16-10-3-5-11(6-4-10)21(24)25/h3-6H,7H2,1-2H3,(H,16,22)(H,17,18,23)
InChiKey: TZPKAJIGBVOSKU-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	Nuclear hormone receptor family member nhr-40	0.001	0.0059	0.024
Schistosoma mansoni	hypothetical protein	0.0064	0.0733	0.36
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.024	0.0279
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0037	0.0394	0.1601
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0059	0.029
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0538	0.2641
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0334	0.4081	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.024	0.464
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0053	0.059	0.2398
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0064	0.0733	0.36
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.024	0.464
Treponema pallidum	hypothetical protein	0.0334	0.4081	0.5
Onchocerca volvulus		0.0053	0.0587	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0538	0.2641
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.013	0.013
Echinococcus multilocularis	transcription factor btf3	0.0035	0.0368	0.0368
Loa Loa (eye worm)	hypothetical protein	0.001	0.0059	0.024
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.013	0.0637
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0203	0.2461	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.013	0.0528
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0016	0.013	0.0002
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0059	0.029
Loa Loa (eye worm)	hypothetical protein	0.0139	0.1661	0.6751
Brugia malayi	beta-NAC-like protein	0.0035	0.0368	0.1494
Brugia malayi	nuclear receptor NHR-88	0.001	0.0059	0.024
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0334	0.4081	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0022	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0203	0.2461	1
Mycobacterium leprae	PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC	0.0334	0.4081	1
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.013	0.0528
Loa Loa (eye worm)	hypothetical protein	0.001	0.0059	0.024
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0044	0.0216
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0059	0.029
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0059	0.029
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0016	0.013	0.0002
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0059	0.024
Leishmania major	protein kinase, putative	0.0016	0.013	0.0002
Brugia malayi	ecdysteroid receptor	0.001	0.0059	0.024
Schistosoma mansoni	hypothetical protein	0.0064	0.0733	0.36
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0391	0.1588
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0059	0.024
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0059	0.024
Loa Loa (eye worm)	hypothetical protein	0.001	0.0059	0.024
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0059	0.024
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.024	0.464
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0064	0.0733	0.298
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0203	0.2461	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0071	0.0349
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0059	0.029
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0733	0.298
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0059	0.029
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0059	0.029
Brugia malayi	hypothetical protein	0.0025	0.024	0.0976
Echinococcus granulosus	GPCR family 2	0.0064	0.0733	0.36
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0391	0.1588
Echinococcus granulosus	cpg binding protein	0.003	0.0311	0.1524
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.013	0.013
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0059	0.024
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0334	0.4081	1
Brugia malayi	hypothetical protein	0.0037	0.0394	0.1601
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0064	0.0733	0.36
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0538	0.2186
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0059	0.0059
Brugia malayi	Latrophilin receptor protein 2	0.0064	0.0733	0.298
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0587	0.2385
Entamoeba histolytica	transcription factor BTF3, putative	0.0035	0.0368	0.5
Leishmania major	basic transcription factor 3a, putative	0.0035	0.0368	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0059	0.024
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0538	0.2641
Echinococcus multilocularis	GPCR, family 2	0.0064	0.0733	0.0733
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0059	0.0059
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0064	0.0733	0.298
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0538	0.2641
Loa Loa (eye worm)	ICD-1 protein	0.0035	0.0368	0.1494
Trypanosoma brucei	transcription factor BTF3, putative	0.0035	0.0368	1
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0016	0.0133	0.0133
Brugia malayi	aryl hydrocarbon receptor nuclear translocator protein, putative	0.0037	0.0394	0.1601
Schistosoma mansoni	transcription factor btf3	0.0035	0.0368	0.1805
Trypanosoma cruzi	transcription factor btf3, putative	0.0035	0.0368	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0022	0.0109
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0334	0.4081	0.5
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0071	0.0071
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.013	0.0637
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0059	0.029
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0059	0.024
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0059	0.024
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.013	0.013
Brugia malayi	hypothetical protein	0.0016	0.0132	0.0535
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0053	0.059	0.059
Leishmania major	protein kinase, putative	0.0016	0.013	0.0002
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0059	0.029
Plasmodium vivax	basic transcription factor 3b, putative	0.0035	0.0368	0.0602
Entamoeba histolytica	hypothetical protein	0.0035	0.0368	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0059	0.029
Brugia malayi	PAS domain containing protein	0.0016	0.013	0.0528
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0538	0.2186
Toxoplasma gondii	NAC domain-containing protein	0.0035	0.0368	0.4963
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0059	0.024
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0059	0.024
Trichomonas vaginalis	adenylate cyclase, type VII, putative	0.0016	0.013	0.3267
Trichomonas vaginalis	adenylate cyclase, putative	0.0016	0.013	0.3267
Onchocerca volvulus		0.0029	0.029	0.4378
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0016	0.013	0.3267
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0064	0.0733	0.0733
Brugia malayi	steroid hormone receptor	0.001	0.0059	0.024
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0059	0.0059
Brugia malayi	isocitrate dehydrogenase	0.0016	0.013	0.0528
Plasmodium falciparum	basic transcription factor 3b, putative	0.0035	0.0368	0.0602
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0368	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0016	0.013	0.3267
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0059	0.024
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0059	0.029
Loa Loa (eye worm)	hypothetical protein	0.0025	0.024	0.0976
Brugia malayi	hypothetical protein	0.0053	0.0587	0.2385
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0059	0.024
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0059	0.024
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0016	0.013	0.3267
Onchocerca volvulus	Protein cycle homolog	0.0037	0.0394	0.6345
Schistosoma mansoni	hypothetical protein	0.0011	0.0071	0.0349
Brugia malayi	latrophilin 2 splice variant baaae	0.0139	0.1661	0.6751
Schistosoma mansoni	hypothetical protein	0.0064	0.0733	0.36
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0059	0.024
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0059	0.029
Loa Loa (eye worm)	hypothetical protein	0.001	0.0059	0.024
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0016	0.013	0.0002
Schistosoma mansoni	aryl hydrocarbon receptor nuclear translocator homolog (darnt)	0.0037	0.0394	0.1934
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0059	0.0059
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0368	1
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0059	0.024
Loa Loa (eye worm)	hypothetical protein	0.001	0.0059	0.024
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0016	0.013	0.0002
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.0609	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0059	0.0059
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.029	0.1179
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0043	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0391	0.1588
Echinococcus granulosus	transcription factor btf3	0.0035	0.0368	0.1805
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0538	0.0538
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0059	0.029
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0022	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0016	0.013	0.0528
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0203	0.2461	1
Schistosoma mansoni	hypothetical protein	0.0139	0.1661	0.8155
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.013	0.013
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0059	0.029
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0391	0.1588
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0059	0.029
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0059	0.024
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.024	0.0279
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0059	0.024
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0059	0.0059
Schistosoma mansoni	cpg binding protein	0.003	0.0311	0.1524
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0016	0.013	0.0002
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0538	0.0538
Trypanosoma cruzi	transcription factor btf3, putative	0.0035	0.0368	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0059	0.024
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0059	0.024
Schistosoma mansoni	aryl hydrocarbon receptor	0.0016	0.0133	0.0654
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0016	0.013	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0059	0.0059
Echinococcus granulosus	aryl hydrocarbon receptor	0.0053	0.059	0.2897
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0059	0.0059
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0059	0.0059
Schistosoma mansoni	cpg binding protein	0.003	0.0311	0.1524
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0059	0.029
Schistosoma mansoni	hypothetical protein	0.0064	0.0733	0.36
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0037	0.0394	0.1601
Brugia malayi	CXXC zinc finger family protein	0.0029	0.029	0.1179
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0022	0.0022
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0059	0.029
Brugia malayi	nuclear hormone receptor	0.001	0.0059	0.024
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.013	0.3267
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0016	0.013	0.0002
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0059	0.024
Schistosoma mansoni	hypothetical protein	0.0169	0.2037	1
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0016	0.013	0.3267
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0016	0.013	0.3267
Echinococcus granulosus	geminin	0.0169	0.2037	1
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0016	0.0133	0.0654
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0059	0.024
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0059	0.024
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.024	0.0279
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0538	0.2641
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0059	0.029
Schistosoma mansoni	cpg binding protein	0.0029	0.029	0.1425
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0016	0.013	0.0002
Leishmania major	hypothetical protein, conserved	0.0025	0.024	0.464
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.024	0.2303
Schistosoma mansoni	hypothetical protein	0.0169	0.2037	1
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0059	0.029
Echinococcus multilocularis	cpg binding protein	0.003	0.0311	0.0311
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0059	0.024
Brugia malayi	aryl hydrocarbon receptor AHR-1	0.0037	0.0391	0.1588
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0022	0.0109
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.069	0.3387
Trichomonas vaginalis	guanylate cyclase, putative	0.0016	0.013	0.3267
Schistosoma mansoni	single-minded	0.0016	0.013	0.0638
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.013	0.013
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.013	0.3267
Echinococcus multilocularis	geminin	0.0169	0.2037	0.2037
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0064	0.0733	0.0733
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0368	1
Brugia malayi	hypothetical protein	0.0037	0.0391	0.1588
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0059	0.029
Schistosoma mansoni	coup transcription factor	0.001	0.0059	0.029
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0044	0.0179
Loa Loa (eye worm)	hypothetical protein	0.001	0.0059	0.024
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0059	0.024
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0044	0.0044
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.013	0.3267
Loa Loa (eye worm)	hypothetical protein	0.001	0.0059	0.024
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0059	0.029

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 691003