TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 412.419 | Formula: C19H16N4O5S
H donors: 1 H acceptors: 7 LogP: 2.11 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(c(c1)[N+](=O)[O-])C)Nc1cccc(c1)c1ccc(nn1)S(=O)(=O)C
InChi: 1S/C19H16N4O5S/c1-12-6-7-14(11-17(12)23(25)26)19(24)20-15-5-3-4-13(10-15)16-8-9-18(22-21-16)29(2,27)28/h3-11H,1-2H3,(H,20,24)
InChiKey: GJCPZZLEFVCQPK-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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 granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0688	0.0688
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1014	0.1937
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0029	0.0494	0.0494
Brugia malayi	nuclear hormone receptor	0.0029	0.0494	0.0494
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.1014	0.1014
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0689	0.5
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0689	0.0689
Brugia malayi	nuclear receptor RXR	0.0016	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0689	0.0689
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0029	0.0494	0.0494
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0624	0.0624
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0688	0.0688
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0029	0.0494	0.0494
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0029	0.0494	0.0494
Schistosoma mansoni	hypothetical protein	0.0033	0.0624	0.1191
Toxoplasma gondii	ABC1 family protein	0.0035	0.0689	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0008	0.0008
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0029	0.0494	0.0494
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0029	0.0494	0.0494
Entamoeba histolytica	hypothetical protein	0.0035	0.0688	0.5
Brugia malayi	hypothetical protein	0.0016	0.0008	0.0008
Onchocerca volvulus		0.0035	0.0689	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0494	0.0494
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0689	0.0943
Echinococcus granulosus	geminin	0.0165	0.5236	0.5236
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0689	0.0689
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1161	0.1161
Brugia malayi	Nuclear hormone receptor-like 1	0.0029	0.0494	0.0494
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0029	0.0494	0.0494
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0029	0.0494	0.0494
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.0001	0.0001
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0029	0.0494	0.0494
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.0001	0.0001
Brugia malayi	beta-lactamase	0.0035	0.0689	0.0689
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0689	0.0689
Entamoeba histolytica	hypothetical protein	0.0035	0.0688	0.5
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0689	0.0943
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0689	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0689	0.1316
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0689	0.0943
Trichomonas vaginalis	esterase, putative	0.0035	0.0689	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.73	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0689	0.0943
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.377	0.7199
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0689	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0029	0.0494	0.0494
Echinococcus multilocularis	tar DNA binding protein	0.0123	0.377	0.377
Echinococcus granulosus	ecdysone induced protein 78C	0.0029	0.0494	0.0494
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0689	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0029	0.0494	0.0494
Brugia malayi	Steroid receptor seven-up type 2	0.0117	0.3556	0.3556
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0029	0.0494	0.0494
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0001	0.0001
Brugia malayi	RNA binding protein	0.0123	0.377	0.377
Brugia malayi	hypothetical protein	0.0035	0.0688	0.0688
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0689	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1014	0.1937
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0689	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.3512	0.3512
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0117	0.3556	0.3556
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0494	0.0494
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0689	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0029	0.0494	0.0494
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0689	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0029	0.0494	0.0494
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.0001	0.0002
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.377	0.7199
Onchocerca volvulus		0.0035	0.0689	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0029	0.0494	0.0494
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0689	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0029	0.0494	0.0494
Leishmania major	hypothetical protein, conserved	0.0035	0.0689	1
Brugia malayi	nuclear receptor NHR-88	0.0029	0.0494	0.0494
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0001	0.0001
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0689	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0689	0.5
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0029	0.0494	0.0944
Echinococcus granulosus	tar DNA binding protein	0.0123	0.377	0.377
Echinococcus multilocularis	geminin	0.0165	0.5236	0.5236
Brugia malayi	TAR-binding protein	0.0123	0.377	0.377
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0689	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0029	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0689	0.0689
Mycobacterium ulcerans	lipase LipD	0.0035	0.0689	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0029	0.0494	0.0944
Loa Loa (eye worm)	zinc finger protein	0.0301	1	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0689	0.0689
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0029	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0494	0.0494
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0015	0.0001	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0029	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0689	0.0689
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0029	0.0494	0.0944
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0029	0.0494	0.0494
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.377	0.7199
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.1014	0.1014
Echinococcus multilocularis	zinc finger transcription factor gli2	0.0301	1	1
Brugia malayi	ecdysteroid receptor	0.0029	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0494	0.0494
Loa Loa (eye worm)	RNA binding protein	0.0123	0.377	0.377
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0494	0.0494
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0029	0.0494	0.0494
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.1014	0.1014
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0016	0.0008	0.0008
Schistosoma mansoni	RAR-like nuclear receptor	0.0029	0.0494	0.0944
Echinococcus granulosus	FTZ F1 alpha	0.0029	0.0494	0.0494
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1161	0.1161
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0029	0.0494	0.0494
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0029	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0689	0.0689
Schistosoma mansoni	hypothetical protein	0.0035	0.0688	0.1315
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0689	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0029	0.0494	0.0944
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0029	0.0494	0.0494
Brugia malayi	steroid hormone receptor	0.0029	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0624	0.0624
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.0001	0.0001
Brugia malayi	MH2 domain containing protein	0.0116	0.3512	0.3512
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0689	0.0943
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0689	0.0943
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0016	0.0008	0.0014
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1014	0.1937
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0029	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0494	0.0494
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0016	0.0008	0.0008
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.0008	0.0008
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.0008	0.0008
Loa Loa (eye worm)	TAR-binding protein	0.0123	0.377	0.377
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0001	0.0001
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.1014	0.1014
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0008	0.0008
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0016	0.0008	0.0014
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0029	0.0494	0.0494
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0689	0.5
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0029	0.0494	0.0944
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0016	0.0008	0.0008
Echinococcus granulosus	zinc finger transcription factor gli2	0.0301	1	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0689	0.0943
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0689	0.0943
Loa Loa (eye worm)	steroid hormone receptor	0.0029	0.0494	0.0494
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0689	0.0689
Brugia malayi	beta-lactamase family protein	0.0035	0.0689	0.0689
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0029	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1161	0.1161
Brugia malayi	RNA recognition motif domain containing protein	0.0123	0.377	0.377
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0029	0.0494	0.0944
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.1014	0.1014
Schistosoma mansoni	hypothetical protein	0.0165	0.5236	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0123	0.377	0.377
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.1014	0.1014
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0029	0.0494	0.0494
Loa Loa (eye worm)	nuclear hormone receptor	0.0101	0.3011	0.3011
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0029	0.0494	0.0944
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0029	0.0494	0.0494
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0029	0.0494	0.0494
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0029	0.0494	0.0944
Entamoeba histolytica	hypothetical protein	0.0035	0.0688	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0029	0.0494	0.0944
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0689	0.0689
Entamoeba histolytica	hypothetical protein	0.0035	0.0688	0.5
Brugia malayi	beta-lactamase family protein	0.0035	0.0689	0.0689
Brugia malayi	hypothetical protein	0.0016	0.0008	0.0008
Onchocerca volvulus		0.0035	0.0689	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0029	0.0494	0.0494
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0688	0.1315
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1161	0.1161
Brugia malayi	isocitrate dehydrogenase	0.0015	0.0001	0.0001
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0029	0.0494	0.0944
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0029	0.0494	0.0494
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.0001	0.0001
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0689	0.0943
Echinococcus multilocularis	FTZ F1 alpha	0.0029	0.0494	0.0494
Schistosoma mansoni	retinoic acid receptor RXR	0.0029	0.0494	0.0944
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.377	0.7199
Loa Loa (eye worm)	hypothetical protein	0.0103	0.307	0.307
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0117	0.3556	0.3556
Schistosoma mansoni	coup transcription factor	0.0029	0.0494	0.0944
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.3512	0.3512
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0029	0.0494	0.0494
Schistosoma mansoni	hypothetical protein	0.0165	0.5236	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0689	0.1316
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0689	0.0943
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0689	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0689	0.0689
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0029	0.0494	0.0494
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.377	0.7199
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.0001	0.0001

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

Search by Saint Jude

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 680482