TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 337.372 | Formula: C19H19N3O3
H donors: 1 H acceptors: 4 LogP: 4.15 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: [O-][N+](=O)CC(c1c(C)nn(c1O)c1ccccc1)c1ccc(cc1)C
InChi: 1S/C19H19N3O3/c1-13-8-10-15(11-9-13)17(12-21(24)25)18-14(2)20-22(19(18)23)16-6-4-3-5-7-16/h3-11,17,23H,12H2,1-2H3
InChiKey: MRKIEWNFKOHLAN-UHFFFAOYSA-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
Echinococcus multilocularis	lamin dm0	0.0028	0.0416	0.0416
Brugia malayi	beta-lactamase family protein	0.0036	0.0652	0.0612
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0652	0.0247
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0039	0.0758	0.0758
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.9045	0.9003
Brugia malayi	beta-lactamase family protein	0.0036	0.0652	0.0612
Brugia malayi	RNA recognition motif domain containing protein	0.0324	0.9045	0.9041
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0416	0.0375
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0652	0.5
Schistosoma mansoni	hypothetical protein	0.0172	0.4609	0.4375
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0652	0.0612
Echinococcus granulosus	lamin	0.0028	0.0416	0.0416
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.3062	0.3062
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.1053	0.1053
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0652	0.0652
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0652	0.0247
Echinococcus multilocularis	geminin	0.0172	0.4609	0.4609
Echinococcus granulosus	intermediate filament protein	0.0028	0.0416	0.0416
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0039	0.0758	0.0758
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.9045	0.9003
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.0039	0.0758	1
Echinococcus multilocularis	tar DNA binding protein	0.0324	0.9045	0.9045
Schistosoma mansoni	inositol transporter	0.0039	0.0758	0.0357
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0039	0.0758	0.0758
Trichomonas vaginalis	esterase, putative	0.0036	0.0652	0.5
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0043	0.0043
Schistosoma mansoni	hypothetical protein	0.0172	0.4609	0.4375
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.9045	0.9003
Brugia malayi	MH2 domain containing protein	0.0119	0.3062	0.3032
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.3062	0.3062
Loa Loa (eye worm)	hypothetical protein	0.0357	1	1
Onchocerca volvulus		0.0036	0.0652	0.6918
Brugia malayi	Sodium:solute symporter family protein	0.0039	0.0758	0.0718
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0652	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0652	0.5
Brugia malayi	intermediate filament protein	0.0028	0.0416	0.0375
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0039	0.0758	0.0758
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.1053	0.0665
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0324	0.9045	0.9045
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.1053	0.1053
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0758	0.0758
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0652	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.9045	0.9003
Mycobacterium ulcerans	lipase LipD	0.0036	0.0652	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0652	0.0652
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0652	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0652	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0652	0.0652
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0652	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0652	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0652	0.5
Echinococcus granulosus	tar DNA binding protein	0.0324	0.9045	0.9045
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0401	0.0401
Leishmania major	hypothetical protein, conserved	0.0036	0.0652	0.5
Echinococcus granulosus	high affinity choline transporter 1	0.0357	1	1
Echinococcus granulosus	geminin	0.0172	0.4609	0.4609
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0652	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0652	0.0652
Echinococcus granulosus	solute carrier family 5	0.0039	0.0758	0.0758
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0416	0.0416
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0652	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.1053	0.1053
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0652	0.5
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0039	0.0758	0.0758
Schistosoma mansoni	high-affinity choline transporter	0.0357	1	1
Schistosoma mansoni	sodium/solute symporter	0.0039	0.0758	0.0357
Brugia malayi	RNA binding protein	0.0324	0.9045	0.9041
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0652	0.5
Schistosoma mansoni	inositol transporter	0.0039	0.0758	0.0357
Echinococcus multilocularis	musashi	0.0028	0.0416	0.0416
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0652	0.5
Onchocerca volvulus		0.0039	0.0758	1
Echinococcus granulosus	sodium:glucose cotransporter	0.0039	0.0758	0.0758
Echinococcus granulosus	lamin dm0	0.0028	0.0416	0.0416
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0416	0.0416
Loa Loa (eye worm)	TAR-binding protein	0.0324	0.9045	0.9045
Echinococcus multilocularis	high affinity choline transporter 1	0.0357	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.1053	0.0665
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0652	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.1053	0.0665
Echinococcus multilocularis	solute carrier family 5	0.0039	0.0758	0.0758
Onchocerca volvulus		0.0036	0.0652	0.6918
Brugia malayi	TAR-binding protein	0.0324	0.9045	0.9041
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0652	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0416	0.0416
Brugia malayi	beta-lactamase	0.0036	0.0652	0.0612
Onchocerca volvulus		0.0036	0.0652	0.6918
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0039	0.0758	0.0758
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0652	0.0652
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.1053	0.1053
Echinococcus multilocularis	lamin	0.0028	0.0416	0.0416
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.9045	0.9003
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.6259	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0652	0.5
Loa Loa (eye worm)	RNA binding protein	0.0324	0.9045	0.9045
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.1053	0.1015
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0652	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0652	0.0652
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0652	0.0652
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.1053	0.1053

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 611206