TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 361.303 | Formula: C17H15NO8
H donors: 1 H acceptors: 4 LogP: 1.27 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=C(c1nc2ccccc2oc1=O)C(=CC(=O)OC)C(=O)OC)O
InChi: 1S/C17H15NO8/c1-23-12(19)8-9(15(20)24-2)13(16(21)25-3)14-17(22)26-11-7-5-4-6-10(11)18-14/h4-8,21H,1-3H3/b9-8-,16-13?
InChiKey: SVNBHVFLRGVDPZ-WEOXYYETSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Brugia malayi	glutaminase DH11.1	0.0321	0.5644	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0089	0.1004	0.479
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1004	0.0871
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0334	0.5906	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0067	0.0561	0.0994
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0089	0.1004	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0084	0.0902	0.0535
Echinococcus granulosus	peptidase Clp S14 family	0.0059	0.0387	0.1847
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0089	0.1004	0.5
Schistosoma mansoni	hypothetical protein	0.0144	0.2096	0.3714
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0334	0.5906	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0163	0.2483	0.218
Giardia lamblia	Fructose-bisphosphate aldolase	0.0334	0.5906	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0179	0.2795	0.4952
Trypanosoma cruzi	hypothetical protein, conserved	0.0084	0.0902	0.5
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0089	0.1004	0.5
Onchocerca volvulus		0.0084	0.0902	0.5
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0089	0.1004	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0334	0.5906	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0084	0.0902	0.0535
Schistosoma mansoni	jumonji domain containing protein	0.0067	0.0561	0.0994
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0067	0.0561	0.2677
Mycobacterium tuberculosis	Conserved protein	0.0084	0.0902	0.0535
Loa Loa (eye worm)	glutaminase 2	0.0321	0.5644	1
Trypanosoma brucei	hypothetical protein, conserved	0.0084	0.0902	0.5
Echinococcus multilocularis	lysine specific demethylase 5A	0.0067	0.0561	0.2008
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0163	0.2483	1
Schistosoma mansoni	thyroid hormone receptor	0.0179	0.2795	0.4952
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0902	0.067
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0084	0.0902	0.1598
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0179	0.2795	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0102	0.1261	0.2234
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0902	0.067
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0089	0.1004	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0084	0.0902	0.1598
Schistosoma mansoni	glutaminase	0.0321	0.5644	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0084	0.0902	0.0535
Loa Loa (eye worm)	beta-lactamase	0.0084	0.0902	0.067
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0084	0.0902	0.0535
Brugia malayi	beta-lactamase family protein	0.0084	0.0902	0.1598
Mycobacterium tuberculosis	Conserved protein	0.0084	0.0902	0.0535
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0334	0.5906	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0334	0.5906	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0059	0.0387	0.1385
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0089	0.1004	0.2944
Trypanosoma cruzi	hypothetical protein, conserved	0.0084	0.0902	0.5
Brugia malayi	jmjC domain containing protein	0.0067	0.0561	0.0994
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0102	0.1261	0.2234
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0902	0.067
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0902	0.067
Mycobacterium tuberculosis	Probable hydrolase	0.0084	0.0902	0.0535
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0163	0.2483	0.3333
Onchocerca volvulus		0.0084	0.0902	0.5
Echinococcus granulosus	lysine specific demethylase 5A	0.0067	0.0561	0.2677
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0089	0.1004	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0102	0.1261	0.6015
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0102	0.1261	0.4511
Trichomonas vaginalis	glutaminase, putative	0.0321	0.5644	0.9477
Loa Loa (eye worm)	MH2 domain-containing protein	0.0137	0.1965	0.2762
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0084	0.0902	0.3227
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0089	0.1004	0.3592
Mycobacterium leprae	Probable lipase LipE	0.0084	0.0902	0.2456
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0902	0.067
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0902	0.067
Brugia malayi	jmjC domain containing protein	0.0067	0.0561	0.0994
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0102	0.1261	0.2234
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0089	0.1004	0.5
Brugia malayi	MH2 domain containing protein	0.0137	0.1965	0.3482
Brugia malayi	beta-lactamase	0.0084	0.0902	0.1598
Treponema pallidum	fructose-bisphosphate aldolase	0.0334	0.5906	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0334	0.5906	1
Leishmania major	hypothetical protein, conserved	0.0084	0.0902	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0102	0.1261	0.1376
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0334	0.5906	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0102	0.1261	0.6015
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0144	0.2096	0.7499
Onchocerca volvulus		0.0084	0.0902	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0102	0.1261	0.4511
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0334	0.5906	1
Mycobacterium ulcerans	glutaminase	0.0321	0.5644	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0089	0.1004	0.0216
Schistosoma mansoni	peptidase Clp (S14 family)	0.0089	0.1004	0.1779
Brugia malayi	Probable ClpP-like protease	0.0089	0.1004	0.1779
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0084	0.0902	0.1598
Loa Loa (eye worm)	glutaminase	0.0321	0.5644	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0102	0.1261	0.2234
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0084	0.0902	0.0535
Brugia malayi	beta-lactamase family protein	0.0084	0.0902	0.1598
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0334	0.5906	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0084	0.0902	0.4303
Loa Loa (eye worm)	transcription factor SMAD2	0.0137	0.1965	0.2762
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0067	0.0561	0.2008
Mycobacterium tuberculosis	Conserved protein	0.0084	0.0902	0.0535
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0084	0.0902	0.0535
Mycobacterium leprae	conserved hypothetical protein	0.0084	0.0902	0.2456
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0084	0.0902	0.067
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0089	0.1004	0.0216
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0334	0.5906	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0144	0.2096	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0067	0.0561	0.0994

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

Search by Saint Jude

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 777678