TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 364.351 | Formula: C20H16N2O5
H donors: 2 H acceptors: 3 LogP: 2.76 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc2c1oc(=Nc1cccc(c1)C=CC(=O)O)c(c2)C(=O)N
InChi: 1S/C20H16N2O5/c1-26-16-7-3-5-13-11-15(19(21)25)20(27-18(13)16)22-14-6-2-4-12(10-14)8-9-17(23)24/h2-11H,1H3,(H2,21,25)(H,23,24)/b9-8+,22-20-
InChiKey: YREGUCCVYVBXOV-HCNMTHCWSA-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
Trypanosoma cruzi	target of rapamycin kinase 3	0.0229	0.7487	0.7487
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0286	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0098	0.1803	0.1803
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0286	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0245	0.8197	0.8197
Loa Loa (eye worm)	phosphatidylinositol 3	0.0286	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0113	0.246	0.246
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0229	0.7487	0.6934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0171	0.4963	0.4963
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0214	0.684	0.684
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0266	0.0266
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0083	0.117	0.117
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0098	0.1803	0.1803
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0286	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0228	0.7477	0.7477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0156	0.4316	0.4316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0228	0.7477	0.7477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0098	0.1803	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0098	0.1803	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0214	0.684	0.684
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0286	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0063	0.0266	0.0266
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0156	0.4316	0.4316
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.008	0.1009	0.1009
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0092	0.1542	0.1542
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0113	0.246	0.246
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0228	0.7477	0.7477
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0286	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0079	0.0976	0.0976
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0098	0.1803	0.1803
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0121	0.279	0.279
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0098	0.1803	0.1803
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0113	0.246	0.246
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0113	0.246	0.246
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0156	0.4327	0.4327
Giardia lamblia	GTOR	0.0286	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0156	0.4327	0.4327
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0286	1	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0098	0.1803	0.1803
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.006	0.0167	0.0167
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0098	0.1803	0.1803
Entamoeba histolytica	hypothetical protein	0.0094	0.1618	0.1618
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0098	0.1803	0.1803
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0229	0.7487	0.7487
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0286	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0156	0.4327	0.4327
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0098	0.1803	0.1803
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0113	0.246	0.246
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0286	1	1
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.008	0.1009	0.1009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0214	0.684	0.684
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0286	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0172	0.5037	0.5037
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0083	0.117	0.117
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0137	0.35	0.35
Loa Loa (eye worm)	phosphatidylinositol 3	0.0177	0.5246	0.5246
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0156	0.4327	0.4327
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0083	0.1173	0.1173
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0196	0.6087	0.6087
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0286	1	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0063	0.0266	0.039
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0098	0.1803	0.1803
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0094	0.1618	0.1618
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0172	0.5037	0.5037
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0228	0.7477	0.7477
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0214	0.684	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0156	0.4316	0.4316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0214	0.684	0.684
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0196	0.6087	0.6087
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0286	1	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0286	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0214	0.684	0.684
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0196	0.6087	0.6087
Loa Loa (eye worm)	hypothetical protein	0.008	0.1009	0.1009
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0098	0.1803	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0171	0.4963	0.4963
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0228	0.7477	0.7477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0214	0.684	0.684
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.008	0.1009	0.1009
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0059	0.0059
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0214	0.684	0.684
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0187	0.5673	0.5673
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0113	0.246	0.246
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0286	1	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0286	1	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0098	0.1803	0.1803
Loa Loa (eye worm)	phosphatidylinositol 3	0.0098	0.1803	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0193	0.594	0.594
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0113	0.246	0.246
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0172	0.5037	0.5037

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 911645