TDR Targets

Basic information

Technical information

TDR Targets ID: 892936
Name: 5-[[2-[(4-nitrophenyl)methoxy]phenyl]methylid ene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MW: 383.378 | Formula: C18H13N3O5S
H donors: 2 H acceptors: 4 LogP: 2.86 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: S=C1NC(=O)C(=Cc2ccccc2OCc2ccc(cc2)[N+](=O)[O-])C(=O)N1
InChi: 1S/C18H13N3O5S/c22-16-14(17(23)20-18(27)19-16)9-12-3-1-2-4-15(12)26-10-11-5-7-13(8-6-11)21(24)25/h1-9H,10H2,(H2,19,20,22,23,27)
InChiKey: KSEGUYJLIPPXJP-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

5-[[2-[(4-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
5-[[2-[(4-nitrophenyl)methoxy]phenyl]methylene]-2-thioxohexahydropyrimidine-4,6-dione
5-[2-(4-nitrobenzyl)oxybenzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
ZINC01085911
CBMicro_009576
BIM-0009393.P001
ST032662

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	0.0074	0.012	0.0035
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0147	0.0746	0.0746
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0074	0.012	0.012
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0087	0.0224	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0157	0.0832	0.0721
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0074	0.012	0.0035
Brugia malayi	Protein-tyrosine phosphatase	0.0087	0.0224	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0074	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Entamoeba histolytica	Pten 3-phosphoinositide phosphatase, putative	0.0074	0.012	0.5
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0074	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Schistosoma mansoni	protein tyrosine phosphatase	0.0087	0.0224	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0393	0.2865	0.2803
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0074	0.012	0.0035
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0074	0.012	0.0035
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0074	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0074	0.012	0.012
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0087	0.0224	0.0224
Giardia lamblia	Protein tyrosine phosphatase	0.0074	0.012	0.5
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0157	0.0832	0.0832
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.122	1	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0074	0.012	0.0035
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0074	0.012	0.0035
Onchocerca volvulus	Bile acid receptor homolog	0.0393	0.2865	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0087	0.0224	0.0105
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0135	0.0642	0.0642
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0074	0.012	0.0035
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0074	0.012	0.0035
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.122	1	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0147	0.0746	0.0634
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0074	0.012	0.012
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0074	0.012	0.012
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0074	0.012	0.012
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0074	0.012	0.0035
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0147	0.0746	0.0666
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0074	0.012	0.0035
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0074	0.012	0.012
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.122	1	1
Brugia malayi	ecdysteroid receptor	0.0393	0.2865	0.2778
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0074	0.012	0.012
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0074	0.012	0.5
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0074	0.012	0.0035
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0074	0.012	0.5
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0074	0.012	0.012
Onchocerca volvulus		0.0135	0.0642	0.1903
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0104	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0074	0.012	0.012
Echinococcus multilocularis	hypothetical protein	0.0074	0.012	0.012
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0157	0.0832	0.0721
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0087	0.0224	0.0105
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0074	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0147	0.0746	0.0634
Echinococcus multilocularis		0.0074	0.012	0.012
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0157	0.0832	0.0832
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0074	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0074	0.012	0.012
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0074	0.012	0.012
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0135	0.0642	0.0642
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.122	1	1
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0135	0.0642	1
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0135	0.0642	0.0642
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0157	0.0832	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Trypanosoma brucei	protein tyrosine phosphatase 1	0.0074	0.012	0.5
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0157	0.0832	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0074	0.012	0.0035
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0074	0.012	0.0035
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0074	0.012	0.012
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0147	0.0746	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0135	0.0642	0.0529
Leishmania major	tyrosine specific protein phosphatase, putative	0.0135	0.0642	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0074	0.012	0.0035
Trichomonas vaginalis	pten, drome, putative	0.0074	0.012	0.5
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0135	0.0642	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.012	0.0035
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0087	0.0224	0.0105

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 892936