TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 342.389 | Formula: C19H22N2O4
H donors: 1 H acceptors: 2 LogP: 2.44 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)OC1CCN(CC1)C(=O)c1ccc([nH]c1=O)C
InChi: 1S/C19H22N2O4/c1-13-3-8-17(18(22)20-13)19(23)21-11-9-16(10-12-21)25-15-6-4-14(24-2)5-7-15/h3-8,16H,9-12H2,1-2H3,(H,20,22)
InChiKey: PEWRGSCZKZJZOC-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
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0215	0.0216	0.5
Mycobacterium ulcerans	alpha-L-fucosidase	0.3084	1	0.5
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	0.3084	1	1
Brugia malayi	Trehalase family protein	0.0232	0.0274	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0164	0.0042	0.0072
Onchocerca volvulus		0.0232	0.0274	0.0693
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0164	0.0042	0.5
Brugia malayi	Glycosyl hydrolases family 31 protein	0.171	0.5312	0.9086
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0164	0.0042	0.5
Onchocerca volvulus		0.0232	0.0274	0.0693
Echinococcus granulosus	lysosomal alpha glucosidase	0.171	0.5312	0.5292
Echinococcus granulosus	beta galactosidase	0.0705	0.1885	0.1851
Loa Loa (eye worm)	hypothetical protein	0.0232	0.0274	0.047
Onchocerca volvulus		0.0232	0.0274	0.0693
Trypanosoma cruzi	hypothetical protein, conserved	0.0164	0.0042	0.5
Schistosoma mansoni	alpha-glucosidase	0.171	0.5312	0.9086
Trichomonas vaginalis	conserved hypothetical protein	0.0232	0.0274	0.1043
Onchocerca volvulus	Trehalase homolog	0.0232	0.0274	0.0693
Schistosoma mansoni	alpha-l-fucosidase	0.1865	0.5842	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0164	0.0042	0.5
Loa Loa (eye worm)	hypothetical protein	0.0232	0.0274	0.047
Echinococcus multilocularis	lysosomal alpha glucosidase	0.171	0.5312	0.5292
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.171	0.5312	0.9093
Brugia malayi	hypothetical protein	0.0232	0.0274	0.0401
Trichomonas vaginalis	trehalase, putative	0.0232	0.0274	0.1043
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0164	0.0042	0.5
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0818	0.2272	1
Loa Loa (eye worm)	TRE-1 protein	0.0232	0.0274	0.047
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0818	0.2272	1
Loa Loa (eye worm)	trehalase	0.0232	0.0274	0.047
Schistosoma mansoni	beta-galactosidase	0.0705	0.1885	0.3177
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0164	0.0042	0.5
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0164	0.0042	0.0072
Echinococcus multilocularis	beta galactosidase	0.0705	0.1885	0.1851
Loa Loa (eye worm)	hypothetical protein	0.0232	0.0274	0.047
Trypanosoma brucei	glycosyl hydrolase-like protein	0.0164	0.0042	0.5
Brugia malayi	Trehalase family protein	0.0232	0.0274	0.0401
Brugia malayi	Trehalase family protein	0.0232	0.0274	0.0401
Loa Loa (eye worm)	TRE-2 protein	0.0232	0.0274	0.047
Trypanosoma brucei	glucosidase, putative	0.0164	0.0042	0.5
Onchocerca volvulus		0.0232	0.0274	0.0693
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0164	0.0042	0.5
Brugia malayi	Alpha-L-fucosidase family protein	0.1865	0.5842	1
Onchocerca volvulus		0.1149	0.3399	1
Loa Loa (eye worm)	hypothetical protein	0.0232	0.0274	0.047
Brugia malayi	Trehalase family protein	0.0232	0.0274	0.0401
Schistosoma mansoni	alpha-glucosidase	0.171	0.5312	0.9086
Plasmodium vivax	hypothetical protein, conserved	0.0215	0.0216	0.5
Echinococcus multilocularis	lysosomal alpha glucosidase	0.171	0.5312	0.5292
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0164	0.0042	0.5
Loa Loa (eye worm)	hypothetical protein	0.0705	0.1885	0.3226
Onchocerca volvulus		0.0232	0.0274	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0232	0.0274	0.047
Leishmania major	glycosyl hydrolase-like protein	0.0164	0.0042	0.5
Loa Loa (eye worm)	trehalase	0.0232	0.0274	0.047
Leishmania major	alpha glucosidase II subunit, putative	0.0164	0.0042	0.5
Loa Loa (eye worm)	trehalase	0.0232	0.0274	0.047
Loa Loa (eye worm)	hypothetical protein	0.0705	0.1885	0.3226
Loa Loa (eye worm)	alpha-L-fucosidase	0.1865	0.5842	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: CHEMBL3490154

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 2071796