TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 417.497 | Formula: C26H27NO4
H donors: 1 H acceptors: 2 LogP: 3.9 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccccc1C1C2=C(O)CC(CC2=NC(=C1C(=O)OC)C)c1ccccc1
InChi: 1S/C26H27NO4/c1-4-31-22-13-9-8-12-19(22)24-23(26(29)30-3)16(2)27-20-14-18(15-21(28)25(20)24)17-10-6-5-7-11-17/h5-13,18,24,28H,4,14-15H2,1-3H3
InChiKey: KYFPGPXUVIDZIA-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
Trichomonas vaginalis	ubiquitin-activating enzyme E1, putative	0.0047	0.0029	0.0203
Echinococcus multilocularis	glutathione S-transferase	0.0227	0.1142	1
Echinococcus granulosus	ubiquitin modifier activating enzyme 1	0.0142	0.0611	0.5233
Giardia lamblia	Ubiquitin-conjugating enzyme E1	0.0075	0.0202	0.5
Echinococcus multilocularis	eukaryotic translation elongation factor 1	0.0052	0.0059	0.027
Echinococcus granulosus	SUMO activating enzyme subunit 1	0.0056	0.0085	0.0506
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0052	0.0059	0.2936
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0052	0.0059	0.2936
Echinococcus granulosus	glutathione S transferase	0.0052	0.0059	0.027
Echinococcus multilocularis	NEDD8 activating enzyme E1 catalytic subunit	0.0076	0.0205	0.1579
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0052	0.0059	0.2936
Leishmania major	elongation factor-1 gamma	0.0052	0.0059	0.1741
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0052	0.0059	0.2936
Trichomonas vaginalis	ubiquitin-activating enzyme E1, putative	0.0047	0.0029	0.0203
Entamoeba histolytica	ubiquitin-activating enzyme, putative	0.0076	0.0205	0.3017
Echinococcus multilocularis	ubiquitin modifier activating enzyme 6	0.0142	0.0611	0.5233
Echinococcus multilocularis	glutathione S transferase	0.0052	0.0059	0.027
Echinococcus multilocularis	glutathione S transferase	0.0227	0.1142	1
Toxoplasma gondii	NEDD8-activating enzyme E1 catalytic subunit	0.0076	0.0205	1
Echinococcus multilocularis	glutathione S transferase	0.0227	0.1142	1
Schistosoma mansoni	ubiquitin-activating enzyme E1	0.0114	0.044	0.3736
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0052	0.0059	0.2936
Trypanosoma brucei	ubiquitin-activating enzyme E1, putative	0.0075	0.0202	1
Schistosoma mansoni	clathrin coat associated protein ap-50	0.0087	0.0277	0.2276
Leishmania major	hypothetical protein, conserved	0.0052	0.0059	0.1741
Trypanosoma cruzi	NEDD8-activating enzyme E1 regulatory subunit, putative	0.0047	0.0029	0.1447
Trichomonas vaginalis	ubiquitin-activating enzyme E1c, putative	0.0109	0.0413	0.4956
Loa Loa (eye worm)	hypothetical protein	0.1662	1	1
Echinococcus granulosus	glutathione S transferase	0.0052	0.0059	0.027
Loa Loa (eye worm)	hypothetical protein	0.0175	0.082	0.0793
Trichomonas vaginalis	ubiquitin-activating enzyme E1, putative	0.0057	0.0089	0.0942
Plasmodium vivax	ubiquitin activating enzyme, putative	0.0056	0.0085	0.0243
Trichomonas vaginalis	ubiquitin-activating enzyme E1, putative	0.0109	0.0413	0.4956
Plasmodium falciparum	ubiquitin-activating enzyme E1	0.0142	0.0611	0.5101
Schistosoma mansoni	clathrin coat associated protein ap-50	0.0087	0.0277	0.2276
Leishmania major	elongation factor 1-gamma, putative	0.0052	0.0059	0.1741
Brugia malayi	Glutathione S-transferase 4	0.0175	0.082	0.0793
Leishmania major	ubiquitin-activating enzyme e1, putative	0.0053	0.0065	0.2098
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0052	0.0059	0.2936
Schistosoma mansoni	ubiquitin-activating enzyme E1C	0.0076	0.0205	0.1635
Echinococcus multilocularis	glutathione S transferase	0.0052	0.0059	0.027
Trichomonas vaginalis	ubiquitin-activating enzyme E1 X, putative	0.0049	0.0038	0.0315
Plasmodium falciparum	glutathione S-transferase	0.0227	0.1142	1
Echinococcus granulosus	glutathione s transferase mu	0.0227	0.1142	1
Echinococcus granulosus	eukaryotic translation elongation factor 1	0.0052	0.0059	0.027
Entamoeba histolytica	ubiquitin-activating enzyme, putative	0.0142	0.0611	1
Trypanosoma brucei	elongation factor 1 gamma, putative	0.0052	0.0059	0.1741
Echinococcus multilocularis	glutathione S transferase	0.0175	0.082	0.711
Echinococcus granulosus	glutathione S transferase	0.0175	0.082	0.711
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0085	0.0056
Onchocerca volvulus		0.0175	0.082	0.5
Echinococcus multilocularis	glutathione s transferase mu	0.0227	0.1142	1
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0052	0.0059	0.2936
Echinococcus granulosus	ubiquitin modifier activating enzyme 6	0.0142	0.0611	0.5233
Schistosoma mansoni	GST class-mu	0.0227	0.1142	1
Echinococcus granulosus	prostaglandin H2 D isomerase	0.0227	0.1142	1
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0989	0.5842	0.5
Schistosoma mansoni	sumo-1-activating enzyme E1a	0.0056	0.0085	0.057
Toxoplasma gondii	elongation factor 1-gamma, putative	0.0052	0.0059	0.171
Plasmodium vivax	glutathione S-transferase, putative	0.0227	0.1142	1
Trypanosoma cruzi	ubiquitin-activating enzyme E1, putative	0.0075	0.0202	1
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0052	0.0059	0.2936
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0052	0.0059	0.2936
Leishmania major	ubiquitin-activating enzyme e1, putative	0.0075	0.0202	1
Brugia malayi	ThiF family protein	0.0056	0.0085	0.0056
Trichomonas vaginalis	glutaminyl-tRNA synthetase, putative	0.0175	0.082	1
Schistosoma mansoni	elongation factor 1-gamma	0.0052	0.0059	0.0335
Loa Loa (eye worm)	ectopic membrane ruffles in embryo protein 1	0.0076	0.0205	0.0176
Echinococcus granulosus	glutathione S transferase Mu 1	0.0227	0.1142	1
Echinococcus multilocularis	glutathione S transferase	0.0227	0.1142	1
Trichomonas vaginalis	ubiquitin-activating enzyme E1, putative	0.0109	0.0413	0.4956
Plasmodium falciparum	SUMO-activating enzyme subunit 1	0.0056	0.0085	0.0243
Schistosoma mansoni	app binding protein	0.0047	0.0029	0.0067
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0052	0.0059	0.2936
Echinococcus multilocularis	SUMO activating enzyme subunit 1	0.0056	0.0085	0.0506
Trypanosoma brucei	hypothetical protein, conserved	0.0052	0.0059	0.1741
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0052	0.0059	0.2936
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0052	0.0059	0.2936
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0989	0.5842	0.5
Schistosoma mansoni	glutathione-S-transferase	0.0227	0.1142	1
Schistosoma mansoni	Glutathione S-transferase 28 kDa (GST 28) (GST class-mu)	0.0227	0.1142	1
Echinococcus granulosus	glutathione S transferase	0.0227	0.1142	1
Entamoeba histolytica	ubiquitin-activating enzyme E1 1, putative	0.0109	0.0413	0.6591
Echinococcus granulosus	NEDD8 activating enzyme E1 catalytic subunit	0.0076	0.0205	0.1579
Echinococcus multilocularis	prostaglandin H2 D isomerase	0.0227	0.1142	1
Echinococcus multilocularis	ubiquitin modifier activating enzyme 1	0.0142	0.0611	0.5233
Loa Loa (eye worm)	ube1-prov protein	0.0142	0.0611	0.0584
Trypanosoma brucei	elongation factor 1 gamma, putative	0.0052	0.0059	0.1741
Echinococcus multilocularis	glutathione S transferase	0.0175	0.082	0.711
Toxoplasma gondii	hypothetical protein	0.0056	0.0085	0.3205
Trypanosoma cruzi	ubiquitin-activating enzyme E1, putative	0.0075	0.0202	1
Trypanosoma brucei	ubiquitin-activating enzyme E1, putative	0.0053	0.0065	0.2098
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0052	0.0059	0.2936
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0052	0.0059	0.2936
Brugia malayi	ube1-prov protein	0.0142	0.0611	0.0584
Brugia malayi	Ectopic membrane ruffles in embryo protein 1	0.0076	0.0205	0.0176

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 910953