TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 324.329 | Formula: C15H20N2O6
H donors: 1 H acceptors: 4 LogP: 2.99 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1cc([N+](=O)[O-])c(cc1OCCC(C)C)NC(=O)C
InChi: 1S/C15H20N2O6/c1-9(2)5-6-23-14-8-12(16-10(3)18)13(17(20)21)7-11(14)15(19)22-4/h7-9H,5-6H2,1-4H3,(H,16,18)
InChiKey: FJEGLUFPHSKTCU-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

Species	Target name	Source	Bibliographic reference
Influenza A virus	Neuraminidase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Trypanosoma brucei gambiense	ubiquitin-conjugating enzyme e2, putative,ubiquitin carrier protein, putative,ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Cryptosporidium parvum	ubiquitin-conjugating enzyme	Get druggable targets OG5_127739	All targets in OG5_127739
Leishmania mexicana	ubiquitin-conjugating enzyme e2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Leishmania infantum	ubiquitin-conjugating enzyme e2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Candida albicans	ubiquitin conjugating enzyme	Get druggable targets OG5_127739	All targets in OG5_127739
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Leishmania braziliensis	ubiquitin-conjugating enzyme e2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Schistosoma mansoni	ubiquitin conjugating enzyme 13	Get druggable targets OG5_127739	All targets in OG5_127739
Trypanosoma brucei	ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	Get druggable targets OG5_127739	All targets in OG5_127739
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	Get druggable targets OG5_127739	All targets in OG5_127739
Trypanosoma congolense	ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Cryptosporidium hominis	ubiquitin-conjugating enzyme	Get druggable targets OG5_127739	All targets in OG5_127739
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Candida albicans	ubiquitin-conjugating enzyme	Get druggable targets OG5_127739	All targets in OG5_127739
Neospora caninum	Ubiquitin carrier protein (EC 6.3.2.-), related	Get druggable targets OG5_127739	All targets in OG5_127739
Babesia bovis	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Plasmodium knowlesi	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Brugia malayi	Ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	Get druggable targets OG5_127739	All targets in OG5_127739
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	Get druggable targets OG5_127739	All targets in OG5_127739
Schistosoma japonicum	ko:K10580 ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Brugia malayi	ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Candida albicans	post-replication repair	Get druggable targets OG5_127739	All targets in OG5_127739
Leishmania major	ubiquitin-conjugating enzyme e2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Plasmodium berghei	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Theileria parva	ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Leishmania donovani	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739

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	cadherin EGF LAG seven pass G type receptor	0.0068	0.1073	0.2117
Echinococcus multilocularis	SWI:SNF matrix associated	0.0151	0.5066	1
Brugia malayi	brahma associated protein 60 kDa	0.0151	0.5066	0.5066
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0068	0.1073	0.1073
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0368	0.0368
Loa Loa (eye worm)	RNA binding protein	0.0066	0.0986	0.0986
Onchocerca volvulus		0.0164	0.5715	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0054	0.0368	1
Schistosoma mansoni	hypothetical protein	0.0151	0.5066	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.0151	0.5066	0.5066
Leishmania major	hypothetical protein, conserved	0.0054	0.0368	1
Leishmania major	hypothetical protein, conserved	0.0054	0.0368	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0054	0.0368	0.0368
Onchocerca volvulus		0.0151	0.5066	0.8786
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0368	0.0368
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0986	0.1947
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0054	0.0368	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0068	0.1073	0.1073
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0216	0.82	0.82
Chlamydia trachomatis	SWIB complex protein	0.0151	0.5066	0.5
Loa Loa (eye worm)	hypothetical protein	0.0164	0.5715	0.5715
Brugia malayi	RNA binding protein	0.0066	0.0986	0.0986
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0054	0.0368	0.0726
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0054	0.0368	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0068	0.1073	0.2117
Trypanosoma cruzi	hypothetical protein, conserved	0.0054	0.0368	1
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0986	0.1947
Echinococcus granulosus	zinc finger protein Ran binding	0.0054	0.0368	0.0726
Brugia malayi	latrophilin 2 splice variant baaae	0.0147	0.4901	0.4901
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0151	0.5066	1
Schistosoma mansoni	hypothetical protein	0.0151	0.5066	1
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.0986	0.0986
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0054	0.0368	0.0726
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0151	0.5066	1
Echinococcus granulosus	ring and YY1 binding protein	0.0054	0.0368	0.0726
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.0986	0.1947
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0151	0.5066	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1073	0.1073
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0986	0.1947
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.0986	0.0986
Trypanosoma cruzi	WLM domain containing protein, putative	0.0054	0.0368	1
Trypanosoma brucei	hypothetical protein, conserved	0.0054	0.0368	1
Loa Loa (eye worm)	hypothetical protein	0.0216	0.82	0.82
Brugia malayi	Latrophilin receptor protein 2	0.0068	0.1073	0.1073
Trypanosoma cruzi	hypothetical protein, conserved	0.0054	0.0368	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0151	0.5066	1
Brugia malayi	TAR-binding protein	0.0066	0.0986	0.0986
Brugia malayi	hypothetical protein	0.0164	0.5715	0.5715
Loa Loa (eye worm)	MH2 domain-containing protein	0.0253	1	1
Toxoplasma gondii	ran binding protein	0.0054	0.0368	0.0726
Trichomonas vaginalis	conserved hypothetical protein	0.0151	0.5066	1
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0054	0.0368	0.0726
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0216	0.82	0.82
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0151	0.5066	1
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0986	0.1947
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0054	0.0368	0.0368
Schistosoma mansoni	hypothetical protein	0.0068	0.1073	0.2117
Leishmania major	hypothetical protein, conserved	0.0054	0.0368	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0368	0.0368
Echinococcus granulosus	GPCR family 2	0.0068	0.1073	0.2117
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0046	0	0.5
Echinococcus granulosus	SWI:SNF matrix associated	0.0151	0.5066	1
Leishmania major	hypothetical protein, conserved	0.0054	0.0368	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0068	0.1073	0.2117
Trypanosoma brucei	hypothetical protein, conserved	0.0054	0.0368	1
Leishmania major	hypothetical protein, conserved	0.0054	0.0368	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0068	0.1073	0.2117
Brugia malayi	YY1-associated factor 2	0.0054	0.0368	0.0368
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0368	0.0368
Schistosoma mansoni	zinc finger protein	0.0054	0.0368	0.0726
Brugia malayi	brahma associated protein 60 kDa	0.0151	0.5066	0.5066
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0054	0.0368	0.0726
Schistosoma mansoni	brg-1 associated factor	0.0151	0.5066	1
Schistosoma mansoni	hypothetical protein	0.0054	0.0368	0.0726
Schistosoma mansoni	fusion	0.0054	0.0368	0.0726
Schistosoma mansoni	hypothetical protein	0.0068	0.1073	0.2117
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0054	0.0368	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0151	0.5066	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0054	0.0368	1
Echinococcus multilocularis	zinc finger protein Ran binding	0.0054	0.0368	0.0726
Echinococcus granulosus	tar DNA binding protein	0.0066	0.0986	0.1947
Schistosoma mansoni	hypothetical protein	0.0151	0.5066	1
Loa Loa (eye worm)	hypothetical protein	0.0147	0.4901	0.4901
Schistosoma mansoni	hypothetical protein	0.0147	0.4901	0.9675
Schistosoma mansoni	hypothetical protein	0.0068	0.1073	0.2117
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0151	0.5066	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0151	0.5066	1
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0054	0.0368	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.0986	0.0986
Echinococcus multilocularis	ring and YY1 binding protein	0.0054	0.0368	0.0726
Echinococcus multilocularis	SWI:SNF matrix associated	0.0151	0.5066	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0054	0.0368	0.0368
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0054	0.0368	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0216	0.82	0.82
Chlamydia trachomatis	DNA topoisomerase I	0.0151	0.5066	0.5
Echinococcus multilocularis	GPCR, family 2	0.0068	0.1073	0.2117
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0368	0.0368
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0151	0.5066	0.5066
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0986	0.1947
Schistosoma mansoni	TRABID protein (C64 family)	0.0054	0.0368	0.0726
Plasmodium vivax	hypothetical protein, conserved	0.0151	0.5066	1
Schistosoma mansoni	hypothetical protein	0.0068	0.1073	0.2117
Schistosoma mansoni	RNA binding protein	0.0054	0.0368	0.0726
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0054	0.0368	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0253	1	1
Loa Loa (eye worm)	brahma associated protein	0.0151	0.5066	0.5066
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0054	0.0368	0.0368
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0054	0.0368	1
Echinococcus granulosus	Zinc finger RanBP2 type	0.0054	0.0368	0.0726
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0054	0.0368	0.0726

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.96 uM	Inhibition of Influenza A virus neuraminidase	ChEMBL.	18304821

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: CHEMBL495228

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 998383