TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 268.226 | Formula: C10H12N4O5
H donors: 4 H acceptors: 5 LogP: -2.84 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)[N+](=O)[O-])NC[C@@H](C(=O)O)N
InChi: 1S/C10H12N4O5/c11-8(9(15)16)5-12-10(17)13-6-1-3-7(4-2-6)14(18)19/h1-4,8H,5,11H2,(H,15,16)(H2,12,13,17)/t8-/m0/s1
InChiKey: XYTLFDXSPSZODS-QMMMGPOBSA-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	mitogen activated protein kinase 11	0.3525	0.7533	1
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0022	0.0011	1
Schistosoma mansoni	dock	0.0022	0.0011	0.0118
Echinococcus granulosus	mitogen activated protein kinase 14	0.3525	0.7533	1
Schistosoma mansoni	discoidin domain receptor	0.0022	0.0011	0.0118
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0011	1
Echinococcus multilocularis	discoidin domain containing receptor 2	0.0022	0.0011	0.0015
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0011	1
Echinococcus granulosus	dual specificity testis-specific protein kinase	0.0019	0.0006	0.0008
Schistosoma mansoni	btb and poz domain-containing protein	0.0022	0.0011	0.0118
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0422	0.087	0.1155
Echinococcus multilocularis	mitogen activated protein kinase 14	0.3525	0.7533	1
Echinococcus multilocularis	discoidin domain receptor	0.0022	0.0011	0.0015
Plasmodium vivax	LCCL domain-containing protein	0.0022	0.0011	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0004	0.5
Trichomonas vaginalis	hypothetical protein	0.0022	0.0011	1
Brugia malayi	Stress-activated protein kinase jnk-1	0.0471	0.0976	0.1295
Mycobacterium leprae	PROBABLE CONSERVED TRANSMEMBRANE PROTEIN	0.0022	0.0011	0.5
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.4674	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0011	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0004	0.5
Onchocerca volvulus		0.0022	0.0011	0.007
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0021	0.0009	1
Plasmodium falciparum	LCCL domain-containing protein	0.0022	0.0011	1
Schistosoma mansoni	discoidin domain receptor	0.0022	0.0011	0.0118
Echinococcus granulosus	c-Jun N-terminal kinases	0.0471	0.0976	0.1295
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0422	0.087	0.1155
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0011	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.0346	0.0459
Echinococcus granulosus	discoidin domain containing receptor 2	0.0022	0.0011	0.0015
Schistosoma mansoni	ap endonuclease	0.0018	0.0004	0.0044
Brugia malayi	Tyrosine-protein kinase abl-1	0.0174	0.0338	0.0448
Trichomonas vaginalis	beta-hexosaminidase B, putative	0.0022	0.0011	1
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0022	0.0011	0.0007
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0011	1
Entamoeba histolytica	protein kinase domain containing protein	0.0019	0.0006	0.3625
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0011	0.0011
Plasmodium falciparum	LCCL domain-containing protein	0.0022	0.0011	1
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0011	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0004	0.5
Schistosoma mansoni	hypothetical protein	0.0022	0.0011	0.0118
Echinococcus granulosus	discoidin domain receptor	0.0173	0.0336	0.0447
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.3525	0.7533	1
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0019	0.0006	0.0002
Brugia malayi	Tyrosine-protein kinase abl-1	0.0254	0.051	0.0677
Schistosoma mansoni	protein kinase	0.0019	0.0006	0.0063
Schistosoma mansoni	ap endonuclease	0.0018	0.0004	0.0044
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0011	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0019	0.0006	0.0002
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.3525	0.7533	0.7533
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0019	0.0006	0.0002
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0022	0.0011	1
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0299	0.0299
Echinococcus multilocularis	discoidin domain containing receptor 2	0.0022	0.0011	0.0015
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.3525	0.7533	1
Toxoplasma gondii	hypothetical protein	0.4674	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0011	1
Loa Loa (eye worm)	hypothetical protein	0.4674	1	1
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0022	0.0011	0.0007
Echinococcus multilocularis	Coagulation factor 5 8 type, C terminal	0.0022	0.0011	0.0015
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0004	0.0006
Echinococcus granulosus	mitogen activated protein kinase 11	0.3525	0.7533	1
Echinococcus multilocularis	mitogen activated protein kinase 11	0.3525	0.7533	1
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.3525	0.7533	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0004	0.0006
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0174	0.0338	0.0448
Brugia malayi	P38 map kinase family protein 2	0.3525	0.7533	1
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0031	0.0032	0.0042
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0011	1
Leishmania major	protein kinase, putative	0.0019	0.0006	0.0002
Echinococcus multilocularis	dual specificity testis specific protein kinase	0.0019	0.0006	0.0008
Schistosoma mansoni	protein kinase	0.0019	0.0006	0.0063
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0011	1
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0022	0.0011	0.0007
Schistosoma mansoni	septate junction protein	0.0022	0.0011	0.0118
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0011	1
Loa Loa (eye worm)	hypothetical protein	0.0173	0.0336	0.0336
Entamoeba histolytica	protein kinase, putative	0.0021	0.0009	1
Loa Loa (eye worm)	hypothetical protein	0.4674	1	1
Loa Loa (eye worm)	TK/ABL protein kinase	0.0422	0.087	0.087
Echinococcus multilocularis	activin receptor type	0.0019	0.0006	0.0008
Loa Loa (eye worm)	TK/DDR protein kinase	0.0156	0.0299	0.0299
Echinococcus granulosus	Coagulation factor 5 8 type C terminal	0.0022	0.0011	0.0015
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0011	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0004	0.0006
Toxoplasma gondii	PA14 domain-containing protein	0.0022	0.0011	0.0007
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0019	0.0006	0.0002
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0471	0.0976	0.1295
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0011	1
Echinococcus granulosus	discoidin domain containing receptor 2	0.0022	0.0011	0.0015
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0011	1
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.3525	0.7533	1
Onchocerca volvulus		0.0177	0.0346	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0004	0.0004
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0471	0.0976	0.0976
Echinococcus granulosus	discoidin domain containing receptor 2	0.0022	0.0011	0.0015
Trypanosoma brucei	protein kinase, putative	0.0019	0.0006	0.0002
Schistosoma mansoni	serine/threonine protein kinase	0.0471	0.0976	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0011	0.0011
Echinococcus granulosus	activin receptor type	0.0019	0.0006	0.0008
Schistosoma mansoni	protein kinase	0.0019	0.0006	0.0063
Schistosoma mansoni	tyrosine kinase	0.0416	0.0858	0.8787
Echinococcus multilocularis	mitogen activated protein kinase 14	0.3525	0.7533	1
Plasmodium falciparum	protein kinase, putative	0.0019	0.0006	0.26
Echinococcus multilocularis	nuclear receptor 2C2 associated protein	0.0022	0.0011	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0312	0.0312
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0011	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0004	0.5
Echinococcus multilocularis	discoidin domain containing receptor 2	0.0022	0.0011	0.0015
Plasmodium vivax	LCCL domain-containing protein	0.0022	0.0011	1
Mycobacterium tuberculosis	Possible arabinofuranosyltransferase AftD	0.0022	0.0011	1

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

ChEMBL: CHEMBL1626626

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1469735