TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 290.275 | Formula: C13H14N4O4
H donors: 2 H acceptors: 3 LogP: 2.3 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: [N-]=[N+]=N[C@@H]1C[C@@H](O)C/C(=N\O)/[C@H]1OC(=O)c1ccccc1
InChi: 1S/C13H14N4O4/c14-17-15-10-6-9(18)7-11(16-20)12(10)21-13(19)8-4-2-1-3-5-8/h1-5,9-10,12,18,20H,6-7H2/b16-11+/t9-,10-,12+/m1/s1
InChiKey: IFTMAVDRMLAPBE-LMHAMOBFSA-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
Onchocerca volvulus		0.0017	0.0106	0.0255
Onchocerca volvulus		0.0017	0.0106	0.0255
Trypanosoma cruzi	major cysteine proteinase, putative	0.0052	0.0745	0.7098
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0106	0.0255
Schistosoma mansoni	sodium/chloride dependent transporter	0.0105	0.1749	0.1749
Toxoplasma gondii	hypothetical protein	0.0105	0.1749	1
Onchocerca volvulus		0.0105	0.1749	0.4215
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.1006	0.5
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0106	0.0255
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0105	0.1749	0.4215
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0105	0.1749	0.1749
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0234	0.4149	0.4149
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.1006	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0106	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.1006	0.5
Onchocerca volvulus		0.0017	0.0106	0.0255
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.1006	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.1006	0.5
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0105	0.1749	0.166
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0105	0.1749	0.5
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0105	0.1749	0.1749
Onchocerca volvulus		0.0105	0.1749	0.4215
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0549	1	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0234	0.4149	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0105	0.1749	0.166
Brugia malayi	hypothetical protein	0.0105	0.1749	0.4215
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.006	0.09	0.8824
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1749	0.1749
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0106	0.0255
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0106	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0106	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0105	0.1749	0.1749
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0105	0.1749	0.1749
Loa Loa (eye worm)	hypothetical protein	0.0549	1	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0105	0.1749	0.4215
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0106	1
Toxoplasma gondii	hypothetical protein	0.0105	0.1749	1
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0106	1
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0106	1
Loa Loa (eye worm)	serotonin transporter b	0.0234	0.4149	0.4149
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0105	0.1749	1
Onchocerca volvulus		0.0017	0.0106	0.0255
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.1006	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.1006	0.5
Leishmania major	cathepsin L-like protease	0.0066	0.1006	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0106	0.0106
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0105	0.1749	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0106	1
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0106	0.0255
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0105	0.1749	0.1749
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0106	1
Leishmania major	cathepsin L-like protease	0.0066	0.1006	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0549	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0106	0.0106
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0106	0.0255
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0106	1
Plasmodium vivax	hypothetical protein, conserved	0.0105	0.1749	1
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0105	0.1749	0.166
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0106	1
Plasmodium vivax	amine transporter, putative	0.0105	0.1749	1
Loa Loa (eye worm)	hypothetical protein	0.0234	0.4149	0.4149
Echinococcus multilocularis	serotonin transporter	0.0234	0.4149	0.4086
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0106	0.0255
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0106	0.0106
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0106	1
Onchocerca volvulus		0.0017	0.0106	0.0255
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0234	0.4149	0.4149
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0106	0.0255
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0106	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0106	1
Echinococcus granulosus	sodium and chloride dependent glycine	0.0105	0.1749	0.1749
Echinococcus granulosus	serotonin transporter	0.0234	0.4149	0.4149
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1749	0.1749
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1749	0.1749
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0106	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.1006	0.5
Schistosoma mansoni	sodium/chloride dependent transporter	0.0105	0.1749	0.1749
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1749	0.1749
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0106	1
Loa Loa (eye worm)	hypothetical protein	0.0234	0.4149	0.4149
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0105	0.1749	0.166
Loa Loa (eye worm)	ctsf protein	0.0017	0.0106	0.0106
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0106	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.0106	0.0106
Onchocerca volvulus		0.0105	0.1749	0.4215
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0105	0.1749	0.1749
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0106	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0106	1
Onchocerca volvulus		0.0017	0.0106	0.0255
Treponema pallidum	sodium- and chloride- dependent transporter	0.0234	0.4149	0.5
Trypanosoma cruzi	cruzipain precursor, putative	0.0066	0.1006	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0234	0.4149	0.4149
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.1006	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0106	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0106	1
Onchocerca volvulus		0.0234	0.4149	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0106	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0105	0.1749	0.1749
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0106	0.0106
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0105	0.1749	0.4215
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0106	0.0106
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0106	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0105	0.1749	1
Plasmodium falciparum	transporter, putative	0.0105	0.1749	1
Onchocerca volvulus		0.0017	0.0106	0.0255
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.0106	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0549	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.1006	0.5
Plasmodium falciparum	amino acid transporter, putative	0.0105	0.1749	1
Loa Loa (eye worm)	fibroinase	0.0017	0.0106	0.0106
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0106	1
Loa Loa (eye worm)	cysteine protease	0.0017	0.0106	0.0106
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0549	1	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0105	0.1749	0.1749
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.1006	1
Leishmania major	cathepsin L-like protease	0.0066	0.1006	1
Echinococcus granulosus	sodium and chloride dependent glycine	0.0105	0.1749	0.1749
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0106	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0105	0.1749	0.4215
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0106	0.0255
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.1006	0.5
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0106	0.0106
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0106	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0106	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0106	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0105	0.1749	0.1749
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0106	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1749	0.1749
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0105	0.1749	0.1749
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0105	0.1749	0.1749
Echinococcus granulosus	cathepsin l1	0.0017	0.0106	0.0106
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.1006	1
Loa Loa (eye worm)	hypothetical protein	0.0234	0.4149	0.4149
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0106	0.0255
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.1006	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0549	1	1
Loa Loa (eye worm)	norepinephrine transporter	0.0234	0.4149	0.4149

Activities

Activity type	Activity value	Assay description	Source	Reference
Remaining activity (binding)	= 66 %	Inactivation of the enzyme PI4K230 from bovine brain membranes	ChEMBL.	11170653
Remaining activity (binding)	= 66 %	Inactivation of the enzyme PI4K230 from bovine brain membranes	ChEMBL.	11170653

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 269241