TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 353.329 | Formula: C18H15N3O5
H donors: 1 H acceptors: 4 LogP: 0.64 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccc2c(c1)[n+]([O-])c(c([n+]2[O-])C)C(=O)Nc1ccccc1
InChi: 1S/C18H15N3O5/c1-11-16(17(22)19-13-6-4-3-5-7-13)21(25)15-10-12(18(23)26-2)8-9-14(15)20(11)24/h3-10H,1-2H3,(H,19,22)
InChiKey: RPSKSRCUUDXBMS-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
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0019	0.0012	0.0012
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0027	0.0025	0.0025
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0035	0.0035
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0019	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0056	0.0056
Echinococcus multilocularis	para nitrobenzyl esterase	0.104	0.1674	0.1674
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0662	0.1058	0.6195
Brugia malayi	hypothetical protein	0.0019	0.0012	0.0012
Mycobacterium tuberculosis	Carboxylesterase LipT	0.104	0.1674	1
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.0027	0.0025	0.0025
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0047	0.0056	1
Echinococcus multilocularis	carboxylesterase 5A	0.6155	1	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0019	0.0012	0.0012
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0041	0.0048	0.0048
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0019	0.0012	0.0012
Echinococcus granulosus	BC026374 protein S09 family	0.104	0.1674	0.1674
Brugia malayi	Carboxylesterase family protein	0.104	0.1674	0.1674
Plasmodium vivax	hypothetical protein, conserved	0.0047	0.0056	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.104	0.1674	1
Entamoeba histolytica	hypothetical protein	0.004	0.0045	0.5
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0041	0.0048	0.0048
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0047	0.0056	0.0056
Brugia malayi	Pre-SET motif family protein	0.0232	0.0358	0.0358
Schistosoma mansoni	voltage-gated potassium channel	0.0045	0.0054	0.0054
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.104	0.1674	0.1674
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0038	0.0043	0.0187
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0019	0.0012	0.0012
Onchocerca volvulus		0.0264	0.041	0.2398
Brugia malayi	Carboxylesterase family protein	0.104	0.1674	0.1674
Brugia malayi	Carboxylesterase family protein	0.6155	1	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.104	0.1674	0.1674
Loa Loa (eye worm)	choline O-acetyltransferase	0.0183	0.0278	0.0278
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.0027	0.0025	0.0025
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0035	0.0035
Schistosoma mansoni	choline o-acyltransferase	0.0183	0.0278	0.0278
Echinococcus multilocularis	conserved hypothetical protein	0.0671	0.1073	0.1073
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0019	0.0012	0.0012
Schistosoma mansoni	gliotactin	0.104	0.1674	0.1674
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0019	0.0012	0.0012
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0047	0.0056	1
Schistosoma mansoni	hypothetical protein	0.0058	0.0074	0.0074
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0047	0.0056	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0041	0.0048	0.0048
Echinococcus granulosus	acetylcholinesterase	0.6155	1	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0662	0.1058	0.6195
Toxoplasma gondii	histone lysine-specific demethylase	0.0047	0.0056	1
Plasmodium vivax	hypothetical protein, conserved	0.0047	0.0056	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0056	0.0056
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.0027	0.0025	0.0025
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.104	0.1674	0.1674
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0019	0.0012	0.0012
Schistosoma mansoni	acetylcholinesterase	0.104	0.1674	0.1674
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0035	0.0035
Brugia malayi	amine oxidase, flavin-containing family protein	0.0047	0.0056	0.0056
Onchocerca volvulus		0.0027	0.0025	0.0078
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0047	0.0056	1
Loa Loa (eye worm)	aspartyl protease 6	0.0019	0.0012	0.0012
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0019	0.0012	0.0012
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.0027	0.0025	0.0025
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0769	0.1232	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.104	0.1674	0.1674
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0025	0.0025
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0047	0.0056	0.0261
Echinococcus multilocularis	acetylcholinesterase	0.6155	1	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.104	0.1674	1
Onchocerca volvulus		0.104	0.1674	1
Loa Loa (eye worm)	hypothetical protein	0.104	0.1674	0.1674
Echinococcus multilocularis		0.0047	0.0056	0.0056
Echinococcus granulosus	neuroligin	0.104	0.1674	0.1674
Loa Loa (eye worm)	hypothetical protein	0.6155	1	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.0035	0.0035
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0019	0.0012	0.0012
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0615	0.0982	0.5726
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0047	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0039	0.0039
Echinococcus granulosus	hypothetical protein	0.0683	0.1093	0.1093
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.0027	0.0025	0.0025
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0047	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.104	0.1674	0.1674
Schistosoma mansoni	amine oxidase	0.0047	0.0056	0.0056
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.6155	1	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0019	0.0012	0.0012
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0038	0.0043	0.0187
Onchocerca volvulus		0.0033	0.0035	0.0137
Echinococcus granulosus	carboxylesterase 5A	0.6155	1	1
Entamoeba histolytica	hypothetical protein	0.004	0.0045	0.5
Loa Loa (eye worm)	hypothetical protein	0.0769	0.1232	0.1232
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0056	0.0056
Schistosoma mansoni	choline o-acyltransferase	0.0027	0.0025	0.0025
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0041	0.0048	0.0048
Brugia malayi	hypothetical protein	0.104	0.1674	0.1674
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.0035	0.0035
Echinococcus granulosus	para nitrobenzyl esterase	0.104	0.1674	0.1674
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0035	0.5113
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.104	0.1674	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0056	0.0056
Brugia malayi	hypothetical protein	0.004	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.104	0.1674	0.1674
Schistosoma mansoni	hypothetical protein	0.004	0.0045	0.0045
Onchocerca volvulus		0.104	0.1674	1
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0047	0.0056	0.0056
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0027	0.0025	0.0025
Brugia malayi	SWIRM domain containing protein	0.0047	0.0056	0.0056
Trichomonas vaginalis	set domain proteins, putative	0.0264	0.041	0.2398
Leishmania major	UDP-galactopyranose mutase	0.0047	0.0056	0.0261
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.104	0.1674	0.1674
Schistosoma mansoni	amine oxidase	0.0047	0.0056	0.0056
Schistosoma mansoni	memapsin-2 (A01 family)	0.0481	0.0763	0.0763
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0769	0.1232	0.1232
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0019	0.0012	0.0012
Onchocerca volvulus		0.0047	0.0056	0.0268
Mycobacterium ulcerans	carboxylesterase, LipT	0.104	0.1674	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.6155	1	1
Onchocerca volvulus		0.0027	0.0025	0.0078
Brugia malayi	Pre-SET motif family protein	0.0033	0.0035	0.0035
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0047	0.0056	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0019	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0393	0.062	0.062
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0769	0.1232	1
Onchocerca volvulus		0.0027	0.0025	0.0078
Onchocerca volvulus		0.104	0.1674	1
Brugia malayi	Carboxylesterase family protein	0.104	0.1674	0.1674
Schistosoma mansoni	cathepsin D (A01 family)	0.0019	0.0012	0.0012
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0232	0.0358	0.0358
Brugia malayi	Choline O-acetyltransferase	0.0183	0.0278	0.0278
Echinococcus granulosus	choline O acetyltransferase	0.0183	0.0278	0.0278
Brugia malayi	Pepsin A precursor	0.0019	0.0012	0.0012
Echinococcus multilocularis	acetylcholinesterase	0.6155	1	1
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.0027	0.0025	0.0025
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0027	0.0025	0.0025
Loa Loa (eye worm)	carboxylesterase	0.6155	1	1
Loa Loa (eye worm)	hypothetical protein	0.0183	0.0278	0.0278
Loa Loa (eye worm)	hypothetical protein	0.104	0.1674	0.1674
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.104	0.1674	0.1674
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0045	0.0045
Echinococcus multilocularis	choline O acetyltransferase	0.0183	0.0278	0.0278
Brugia malayi	hypothetical protein	0.0019	0.0012	0.0012
Echinococcus multilocularis	neuroligin	0.104	0.1674	0.1674
Brugia malayi	Choline O-acetyltransferase	0.0183	0.0278	0.0278
Entamoeba histolytica	hypothetical protein	0.004	0.0045	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0012	0.0012
Loa Loa (eye worm)	carboxylesterase	0.104	0.1674	0.1674
Onchocerca volvulus		0.104	0.1674	1
Brugia malayi	Carboxylesterase family protein	0.104	0.1674	0.1674
Echinococcus granulosus	acetylcholinesterase	0.6155	1	1
Brugia malayi	hypothetical protein	0.0047	0.0056	0.0056
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0035	0.0035
Loa Loa (eye worm)	carboxylesterase	0.104	0.1674	0.1674
Trichomonas vaginalis	spcc417.12 protein, putative	0.104	0.1674	1
Brugia malayi	Serotonin receptor	0.0459	0.0728	0.0728
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0047	0.0056	1
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0047	0.0056	0.0261
Schistosoma mansoni	BC026374 protein (S09 family)	0.104	0.1674	0.1674
Brugia malayi	aspartic protease BmAsp-2, identical	0.0019	0.0012	0.0012
Leishmania major	C-8 sterol isomerase-like protein	0.0769	0.1232	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0035	0.0035
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0019	0.0012	0.0012
Echinococcus multilocularis	BC026374 protein (S09 family)	0.104	0.1674	0.1674
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0019	0.0012	0.0012
Onchocerca volvulus		0.0027	0.0025	0.0078
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.104	0.1674	0.1674
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0045	0.0045
Schistosoma mansoni	voltage-gated potassium channel	0.0045	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.104	0.1674	0.1674
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0047	0.0056	0.5
Plasmodium vivax	SET domain protein, putative	0.0033	0.0035	0.5113
Plasmodium falciparum	protoporphyrinogen oxidase	0.0047	0.0056	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0035	0.0035
Entamoeba histolytica	hypothetical protein	0.004	0.0045	0.5
Loa Loa (eye worm)	hypothetical protein	0.104	0.1674	0.1674
Brugia malayi	aspartic protease BmAsp-1, identical	0.0019	0.0012	0.0012
Onchocerca volvulus		0.104	0.1674	1
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0047	0.0056	0.0056
Loa Loa (eye worm)	acetylcholinesterase 1	0.6155	1	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0032	0.0033	0.0033
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0047	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0012	0.0012

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: CHEMBL2413977

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 1768359