TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 316.272 | Formula: C13H12N6O4
H donors: 1 H acceptors: 6 LogP: 0.92 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COC(=C1C(=Nc2n(C1c1ccc(cc1)[N+](=O)[O-])nnn2)C)O
InChi: 1S/C13H12N6O4/c1-7-10(12(20)23-2)11(18-13(14-7)15-16-17-18)8-3-5-9(6-4-8)19(21)22/h3-6,11,20H,1-2H3
InChiKey: XGVVOCVIYXYLHO-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)	AGC/PKN protein kinase	0.0221	0.0268	0.0335
Schistosoma mansoni	serine/threonine kinase	0.0221	0.0268	0.0268
Echinococcus granulosus	protein kinase C gamma type	0.1274	0.8532	0.8532
Loa Loa (eye worm)	hypothetical protein	0.1021	0.654	0.8167
Trichomonas vaginalis	AGC family protein kinase	0.0221	0.0268	1
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0221	0.0268	0.0268
Loa Loa (eye worm)	hypothetical protein	0.0221	0.0268	0.0335
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0192	0.0037	0.0037
Schistosoma mansoni	serine/threonine protein kinase	0.0221	0.0268	0.0268
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.022	0.0255	0.0255
Entamoeba histolytica	protein kinase, putative	0.0221	0.0268	1
Schistosoma mansoni	protein kinase C	0.022	0.0255	0.0255
Schistosoma mansoni	serine/threonine protein kinase	0.0192	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.022	0.0255	0.0318
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0221	0.0268	0.0268
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0221	0.0268	0.0268
Brugia malayi	Protein kinase domain containing protein	0.0221	0.0268	0.0323
Entamoeba histolytica	protein kinase, putative	0.0221	0.0268	1
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.1058	0.6833	0.8532
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0192	0.0037	0.0047
Trichomonas vaginalis	AGC family protein kinase	0.0221	0.0268	1
Schistosoma mansoni	atypical protein kinase C	0.0408	0.1736	0.1736
Echinococcus granulosus	unc 13 munc13	0.022	0.0255	0.0255
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0221	0.0268	0.0268
Trichomonas vaginalis	AGC family protein kinase	0.0221	0.0268	1
Schistosoma mansoni	serine/threonine protein kinase	0.0221	0.0268	0.0268
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0221	0.0268	0.0335
Brugia malayi	Hr1 repeat family protein	0.0221	0.0268	0.0323
Echinococcus multilocularis	protein kinase c epsilon type	0.0441	0.1991	0.1991
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0192	0.0037	0.0037
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.1462	1	1
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0221	0.0268	0.0335
Brugia malayi	Protein kinase domain containing protein	0.0192	0.0037	0.0045
Entamoeba histolytica	protein kinase, putative	0.0221	0.0268	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0221	0.0268	0.0268
Brugia malayi	Protein kinase domain containing protein	0.0221	0.0268	0.0323
Brugia malayi	p70 ribosomal S6 kinase beta	0.0221	0.0268	0.0323
Brugia malayi	Protein kinase c protein 2	0.1245	0.8301	1
Schistosoma mansoni	unc-13 (munc13)	0.022	0.0255	0.0255
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0192	0.0037	0.0047
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0221	0.0268	0.0268
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0221	0.0268	0.0268
Schistosoma mansoni	serine/threonine protein kinase	0.1462	1	1
Brugia malayi	RasGEF domain containing protein	0.0639	0.3542	0.4267
Echinococcus multilocularis	RNA directed DNA polymerase	0.1021	0.654	0.654
Trichomonas vaginalis	AGC family protein kinase	0.0221	0.0268	1
Loa Loa (eye worm)	hypothetical protein	0.1208	0.8009	1
Schistosoma mansoni	unc-13 (munc13)	0.022	0.0255	0.0255
Echinococcus granulosus	protein kinase c iota type	0.0408	0.1736	0.1736
Trichomonas vaginalis	AGC family protein kinase	0.0221	0.0268	1
Brugia malayi	Protein kinase domain containing protein	0.0221	0.0268	0.0323
Trichomonas vaginalis	AGC family protein kinase	0.0221	0.0268	1
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0221	0.0268	0.0335
Brugia malayi	C1-like domain containing protein	0.0192	0.0037	0.0045
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0441	0.1991	0.2486
Schistosoma mansoni	serine/threonine protein kinase	0.0441	0.1991	0.1991
Schistosoma mansoni	serine/threonine protein kinase	0.0221	0.0268	0.0268
Toxoplasma gondii	AGC kinase	0.0221	0.0268	1
Trichomonas vaginalis	AGC family protein kinase	0.0221	0.0268	1
Schistosoma mansoni	serine/threonine protein kinase	0.0221	0.0268	0.0268
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0192	0.0037	0.0045
Echinococcus granulosus	serine:threonine protein kinase N2	0.0221	0.0268	0.0268
Brugia malayi	protein kinase C3,putative	0.0192	0.0037	0.0045
Entamoeba histolytica	protein kinase, putative	0.0221	0.0268	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0221	0.0268	0.0268
Trichomonas vaginalis	AGC family protein kinase	0.0221	0.0268	1
Schistosoma mansoni	serine/threonine protein kinase	0.0192	0.0037	0.0037
Trichomonas vaginalis	AGC family protein kinase	0.0221	0.0268	1
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0221	0.0268	0.0335
Echinococcus granulosus	RNA directed DNA polymerase	0.1021	0.654	0.654
Trichomonas vaginalis	AGC family protein kinase	0.0221	0.0268	1
Echinococcus multilocularis	serine threonine protein kinase	0.1274	0.8532	0.8532
Brugia malayi	protein kinase C II.	0.0441	0.1991	0.2399
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0221	0.0268	0.0335
Schistosoma mansoni	serine/threonine protein kinase	0.1462	1	1
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.1021	0.654	0.654
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.022	0.0255	0.0255
Onchocerca volvulus		0.022	0.0255	1
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0221	0.0268	0.0268
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0221	0.0268	0.5
Echinococcus multilocularis	unc 13 (munc13)	0.022	0.0255	0.0255
Echinococcus granulosus	NDR protein kinase	0.0221	0.0268	0.0268
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0221	0.0268	0.0335
Echinococcus granulosus	protein kinase c epsilon type	0.0441	0.1991	0.1991
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0826	0.5016	0.6264
Trichomonas vaginalis	AGC family protein kinase	0.0221	0.0268	1
Schistosoma mansoni	protein kinase C mu	0.0192	0.0037	0.0037
Echinococcus multilocularis	protein kinase c iota type	0.0408	0.1736	0.1736

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 871521