TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 311.292 | Formula: C16H13N3O4
H donors: 3 H acceptors: 4 LogP: 3.64 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)Nc1ccc(c2c1cc([nH]2)C(=O)O)[N+](=O)[O-]
InChi: 1S/C16H13N3O4/c1-9-2-4-10(5-3-9)17-12-6-7-14(19(22)23)15-11(12)8-13(18-15)16(20)21/h2-8,17-18H,1H3,(H,20,21)
InChiKey: NFLXUXINUKAFIJ-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
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0019	0.0173	0.0061
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0824	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0015
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0019	0.0173	0.0061
Leishmania major		0.0189	0.264	1
Brugia malayi	Protein kinase domain containing protein	0.0019	0.0173	0.0093
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0019	0.0173	0.0061
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0019	0.0173	0.0061
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0122	1
Echinococcus granulosus	tyrosine kinase	0.0019	0.0173	0.0061
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.007	0.0917	0.3155
Brugia malayi	SRC-1	0.0019	0.0173	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0015
Brugia malayi	fructose-1,6-bisphosphatase	0.0189	0.264	0.3886
Loa Loa (eye worm)	TK protein kinase	0.0019	0.0173	0.0093
Entamoeba histolytica	SH2 domain containing protein	0.0015	0.0112	0.6492
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0019	0.0173	0.0061
Schistosoma mansoni	tyrosine kinase	0.0019	0.0173	0.0061
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0021	0.02	0.0089
Echinococcus multilocularis	tyrosine kinase	0.0019	0.0173	0.0061
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0019	0.0173	0.0061
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0824	0.1093
Schistosoma mansoni	tyrosine kinase	0.0019	0.0173	0.0061
Schistosoma mansoni	fructose-16-bisphosphatase-related	0.0189	0.264	0.2557
Brugia malayi	Protein kinase domain containing protein	0.0019	0.0173	0.0093
Plasmodium vivax	ras-related protein Rab-5A, putative	0.0016	0.0122	0.5
Brugia malayi	hypothetical protein	0.0019	0.0173	0.0093
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0189	0.264	1
Schistosoma mansoni	microtubule-associated protein tau	0.0696	1	1
Brugia malayi	Ras-related protein ypt4	0.0016	0.0122	0.0015
Echinococcus multilocularis	rab protein 3	0.0016	0.0122	0.001
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0019	0.0173	0.0061
Echinococcus granulosus	leucine rich repeat serine:threonine protein	0.0368	0.5244	0.519
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0019	0.0173	0.0061
Schistosoma mansoni	tyrosine kinase	0.0019	0.0173	0.0061
Brugia malayi	Protein kinase domain containing protein	0.0366	0.5208	0.7833
Loa Loa (eye worm)	TK/FER protein kinase	0.0019	0.0173	0.0093
Trichomonas vaginalis	GTP binding protein rare7l, putative	0.0016	0.0122	1
Brugia malayi	SH2 domain containing protein	0.0019	0.0173	0.0093
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0824	0.0719
Echinococcus granulosus	tyrosine protein kinase shark	0.0649	0.9322	0.9315
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0189	0.264	1
Onchocerca volvulus		0.0019	0.0173	1
Echinococcus granulosus	c src tyrosine kinase	0.0019	0.0173	0.0061
Onchocerca volvulus		0.0016	0.0122	0.1633
Loa Loa (eye worm)	TK/FER protein kinase	0.0019	0.0173	0.0093
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0019	0.0173	0.0061
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0017	0.014	0.8075
Brugia malayi	Tyrosine-protein kinase abl-1	0.0019	0.0173	0.0093
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.007	0.0917	0.3155
Brugia malayi	hypothetical protein	0.0016	0.0122	0.0015
Echinococcus multilocularis	tyrosine protein kinase shark	0.0649	0.9322	0.9315
Schistosoma mansoni	tyrosine kinase	0.0634	0.9106	0.9096
Onchocerca volvulus		0.0019	0.0173	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0019	0.0173	0.0061
Echinococcus granulosus	tyrosine kinase	0.0019	0.0173	0.0061
Echinococcus multilocularis	leucine rich repeat serine:threonine protein	0.0366	0.5208	0.5154
Trypanosoma brucei	fructose-1,6-bisphosphatase	0.0189	0.264	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0019	0.0173	0.0061
Echinococcus granulosus	rab protein 3	0.0016	0.0122	0.001
Loa Loa (eye worm)	SRC-1	0.0019	0.0173	0.0093
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0019	0.0173	0.0061
Loa Loa (eye worm)	TK/FER protein kinase	0.0019	0.0173	0.0093
Onchocerca volvulus		0.0019	0.0173	1
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0463	0.6618	0.6579
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0019	0.0173	0.0061
Echinococcus multilocularis	fructose 1,6 bisphosphatase 1	0.0189	0.264	0.2557
Echinococcus granulosus	c-Jun N-terminal kinases	0.0463	0.6618	0.6579
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0019	0.0173	0.0061
Echinococcus granulosus	tyrosine protein kinase Blk	0.0019	0.0173	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0122	0.0015
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0019	0.0173	0.0061
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0019	0.0173	0.0061
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0019	0.0173	0.0061
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0463	0.6618	1
Plasmodium falciparum	ras-related protein Rab-5A	0.0016	0.0122	0.5
Brugia malayi	Stress-activated protein kinase jnk-1	0.0463	0.6618	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0019	0.0173	0.0093
Trichomonas vaginalis	hypothetical protein	0.0016	0.0122	1
Entamoeba histolytica	hypothetical protein	0.0016	0.0122	0.7064
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0019	0.0173	0.0061
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0824	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0173	0.0093
Onchocerca volvulus		0.0019	0.0173	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0019	0.0173	0.0093
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0019	0.0173	0.0061
Echinococcus multilocularis	microtubule associated protein 2	0.0696	1	1
Onchocerca volvulus	Mitochondrial Rho GTPase homolog	0.0016	0.0122	0.1633
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0019	0.0173	0.0061
Trypanosoma brucei	sedoheptulose-1,7-bisphosphatase	0.007	0.0917	0.3155
Brugia malayi	Protein kinase domain containing protein	0.0019	0.0173	0.0093
Loa Loa (eye worm)	TKL/LRRK protein kinase	0.0366	0.5208	0.7833
Schistosoma mansoni	hypothetical protein	0.0016	0.0122	0.001
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0824	0.0719
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0824	0.0719
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0019	0.0173	0.0061
Schistosoma mansoni	tyrosine kinase	0.0019	0.0173	0.0061
Entamoeba histolytica	protein kinase, putative	0.0017	0.014	0.8075
Entamoeba histolytica	hypothetical protein	0.0016	0.0122	0.7064
Loa Loa (eye worm)	TK/FER protein kinase	0.0019	0.0173	0.0093
Onchocerca volvulus		0.0019	0.0173	1
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0824	0.1093
Brugia malayi	Protein kinase domain containing protein	0.0019	0.0173	0.0093
Brugia malayi	TAR-binding protein	0.0064	0.0824	0.1093
Echinococcus multilocularis	GTP binding protein Parf	0.0016	0.0122	0.001
Loa Loa (eye worm)	TK/ABL protein kinase	0.0019	0.0173	0.0093
Echinococcus multilocularis	ras-related protein rab-5	0.0016	0.0122	0.001
Brugia malayi	Protein kinase domain containing protein	0.0019	0.0173	0.0093
Loa Loa (eye worm)	TK/FER protein kinase	0.0019	0.0173	0.0093
Echinococcus multilocularis	c src tyrosine kinase	0.0019	0.0173	0.0061
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0824	0.1093
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0019	0.0173	0.0061
Loa Loa (eye worm)	TK/FER protein kinase	0.0019	0.0173	0.0093
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0019	0.0173	0.0061
Schistosoma mansoni	tyrosine kinase	0.0019	0.0173	0.0061
Loa Loa (eye worm)	fructose-1,6-bisphosphatase	0.0189	0.264	0.3886
Schistosoma mansoni	serine/threonine protein kinase	0.0463	0.6618	0.6579
Echinococcus granulosus	tyrosine protein kinase Srms	0.0019	0.0173	0.0061
Loa Loa (eye worm)	TK/FER protein kinase	0.0019	0.0173	0.0093
Brugia malayi	RNA binding protein	0.0064	0.0824	0.1093
Echinococcus granulosus	fructose 16 bisphosphatase 1	0.0189	0.264	0.2557
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0019	0.0173	0.0061
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0019	0.0173	0.0061
Toxoplasma gondii	fructose-bisphospatase II	0.0189	0.264	1
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0824	0.1093
Brugia malayi	RAB, member of RAS oncogene family-like 5	0.0016	0.0122	0.0015
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0019	0.0173	1
Onchocerca volvulus		0.0019	0.0173	1
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0019	0.0173	0.0061
Schistosoma mansoni	tyrosine kinase	0.0649	0.9322	0.9315
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0824	0.0719
Brugia malayi	protein-tyrosine kinase	0.0019	0.0173	0.0093
Echinococcus granulosus	GTP binding protein Parf	0.0016	0.0122	0.001
Brugia malayi	SH2 domain containing protein	0.0019	0.0173	0.0093
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0019	0.0173	0.0061
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0019	0.0173	0.0061
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0824	0.0719
Loa Loa (eye worm)	TK/FER protein kinase	0.0019	0.0173	0.0093

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 33.9 uM	Inhibition of human recombinant FBPase expressed in Escherichia coli BL21(DE3) by phosphoglucose isomerase and glucose-6-phosphate dehydrogenase coupled assay	ChEMBL.	24530031

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

ChEMBL: CHEMBL3127630

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 1824433