TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 334.364 | Formula: C18H22O6
H donors: 1 H acceptors: 3 LogP: 4.09 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cc(ccc1O)C=C1C(=O)OC(OC1=O)(C)C(C)(C)C
InChi: 1S/C18H22O6/c1-6-22-14-10-11(7-8-13(14)19)9-12-15(20)23-18(5,17(2,3)4)24-16(12)21/h7-10,19H,6H2,1-5H3
InChiKey: NDLKFPMNNCWJOC-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
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0705	0.0563
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.7608	1
Brugia malayi	PHD-finger family protein	0.0024	0.161	0.0973
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0705	0.0878
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0705	1
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0705	0.0927
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0705	1
Entamoeba histolytica	hypothetical protein	0.0035	0.3464	1
Schistosoma mansoni	zinc finger protein	0.0019	0.0717	0.0891
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0294	0.0366
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0705	1
Leishmania major	DNA polymerase eta, putative	0.0019	0.0705	0.0927
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0705	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.7608	1
Trypanosoma brucei	unspecified product	0.0019	0.0705	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.7608	0.5
Schistosoma mansoni	hypothetical protein	0.002	0.0894	0.1112
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0894	0.0667
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0705	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0705	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0294	0.0366
Entamoeba histolytica	hypothetical protein	0.0035	0.3464	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0705	0.0563
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0705	0.0458
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0705	0.5
Loa Loa (eye worm)	hypothetical protein	0.0069	0.9283	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0294	0.0366
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.3464	0.431
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.1214	0.1257
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0705	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0705	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.4581	0.4769
Echinococcus multilocularis	zinc finger protein	0.0019	0.0717	0.0578
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0705	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.1214	0.1257
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.0397	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0038	0.3864	0.3972
Schistosoma mansoni	hypothetical protein	0.0035	0.3464	0.431
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0705	0.0878
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.7608	0.9466
Entamoeba histolytica	hypothetical protein	0.0035	0.3464	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.7608	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.3464	0.4334
Entamoeba histolytica	hypothetical protein	0.0035	0.3464	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0705	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0705	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.7608	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0705	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0705	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0705	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.7437	0.9766
Schistosoma mansoni	bromodomain containing protein	0.0062	0.8037	1
Echinococcus granulosus	dna polymerase eta	0.0019	0.0705	0.0563
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.7437	0.9766
Loa Loa (eye worm)	hypothetical protein	0.004	0.4261	0.4413
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.3464	0.4334
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0705	0.0458
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0705	0.5
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0705	0.0563
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0705	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.7608	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.7608	0.9466
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0705	1
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0705	0.0563
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0705	0.0927
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0705	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.3456	0.4323
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0294	0.0366
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.3456	0.4323
Brugia malayi	Bromodomain containing protein	0.0037	0.3853	0.3386
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0705	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.7608	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.1214	0.151
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0705	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.7608	1
Brugia malayi	hypothetical protein	0.0035	0.3464	0.2968
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0705	1
Echinococcus granulosus	zinc finger protein	0.0019	0.0717	0.0578
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0705	0.0563
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0705	0.0878

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 771922