TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 314.376 | Formula: C19H22O4
H donors: 0 H acceptors: 1 LogP: 5.05 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2ccc(=O)oc2cc1O/C=C(/CCC=C(C)C)\C
InChi: 1S/C19H22O4/c1-13(2)6-5-7-14(3)12-22-18-11-16-15(10-17(18)21-4)8-9-19(20)23-16/h6,8-12H,5,7H2,1-4H3/b14-12+
InChiKey: HYCZYAITNYAQTL-WYMLVPIESA-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
Schistosoma mansoni	hypothetical protein	0.0041	0.2611	0.2291
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0038	0.2306	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.2611	0.2611
Entamoeba histolytica	hypothetical protein	0.0041	0.2611	0.5
Toxoplasma gondii	facilitative glucose transporter GT1	0.0123	1	1
Echinococcus granulosus	General substrate transporter	0.0106	0.8432	0.8432
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0416	0.0416
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0123	1	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.1235	0.1123
Schistosoma mansoni	hypothetical protein	0.0123	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0123	1	1
Trypanosoma brucei	glucose transporter, putative	0.0038	0.2306	1
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0038	0.2306	1
Trypanosoma brucei	glucose transporter, putative	0.0038	0.2306	1
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0017	0.0416	0.5
Leishmania major	glucose transporter, lmgt1	0.0038	0.2306	1
Brugia malayi	intermediate filament protein	0.0026	0.1235	0.1123
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0416	0.0416
Schistosoma mansoni	glucose transport protein	0.0123	1	1
Brugia malayi	Sugar transporter family protein	0.0017	0.0416	0.0293
Trypanosoma cruzi	hexose transporter, putative	0.0038	0.2306	1
Echinococcus multilocularis	lamin	0.0026	0.1235	0.1235
Echinococcus granulosus	solute carrier family 22	0.0017	0.0416	0.0416
Echinococcus multilocularis	solute carrier family 22	0.0017	0.0416	0.0416
Brugia malayi	hypothetical protein	0.0017	0.0416	0.0293
Loa Loa (eye worm)	sugar transporter	0.0123	1	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0123	1	1
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0017	0.0416	0.0416
Trichomonas vaginalis	sugar transporter, putative	0.0038	0.2306	0.1973
Echinococcus multilocularis	solute carrier family 22	0.0017	0.0416	0.0416
Echinococcus granulosus	solute carrier family 22	0.0017	0.0416	0.0416
Brugia malayi	MH2 domain containing protein	0.0112	0.9028	0.9016
Trypanosoma brucei	glucose transporter, putative	0.0038	0.2306	1
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0123	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0416	0.0416
Trypanosoma brucei	glucose transporter, putative	0.0038	0.2306	1
Schistosoma mansoni	glucose transport protein	0.0123	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.2306	0.1973
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.2611	0.2291
Entamoeba histolytica	hypothetical protein	0.0041	0.2611	0.5
Brugia malayi	Sugar transporter family protein	0.0017	0.0416	0.0293
Mycobacterium ulcerans	sugar transporter	0.0017	0.0416	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.1235	0.1235
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0017	0.0416	0.5
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0038	0.2306	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0038	0.2306	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0127	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0416	0.0416
Entamoeba histolytica	hypothetical protein	0.0041	0.2611	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0416	0.0416
Trypanosoma brucei	glucose transporter 1E	0.0038	0.2306	1
Leishmania major	glucose transporter, lmgt2	0.0038	0.2306	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0017	0.0416	0.0416
Echinococcus multilocularis	General substrate transporter	0.0106	0.8432	0.8432
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0416	0.0416
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0017	0.0416	0.5
Schistosoma mansoni	glucose transport protein	0.0123	1	1
Plasmodium vivax	hexose transporter	0.0123	1	1
Brugia malayi	major facilitator superfamily protein	0.0017	0.0416	0.0293
Schistosoma mansoni	lamin	0.0026	0.1235	0.0855
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0416	0.0416
Trypanosoma cruzi	hexose transporter, putative	0.0038	0.2306	1
Trichomonas vaginalis	glucose transporter, putative	0.0038	0.2306	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0026	0.1235	0.1235
Echinococcus granulosus	lamin dm0	0.0026	0.1235	0.1235
Schistosoma mansoni	lamin	0.0026	0.1235	0.0855
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0123	1	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0123	1	1
Onchocerca volvulus		0.0026	0.1235	1
Echinococcus multilocularis	musashi	0.0026	0.1235	0.1235
Trypanosoma brucei	glucose transporter, putative	0.0038	0.2306	1
Schistosoma mansoni	intermediate filament proteins	0.0026	0.1235	0.0855
Echinococcus multilocularis	solute carrier family 22	0.0017	0.0416	0.0416
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0017	0.0416	0.0416
Mycobacterium ulcerans	integral membrane transport protein	0.0017	0.0416	0.5
Echinococcus granulosus	intermediate filament protein	0.0026	0.1235	0.1235
Trichomonas vaginalis	sugar transporter, putative	0.0038	0.2306	0.1973
Echinococcus multilocularis	lamin dm0	0.0026	0.1235	0.1235
Entamoeba histolytica	hypothetical protein	0.0041	0.2611	0.5
Echinococcus multilocularis	solute carrier family 22	0.0017	0.0416	0.0416
Brugia malayi	major facilitator superfamily protein	0.0017	0.0416	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0416	0.0416
Trypanosoma brucei	glucose transporter, putative	0.0038	0.2306	1
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0017	0.0416	0.5
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0123	1	1
Trypanosoma brucei	glucose transporter, putative	0.0038	0.2306	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0123	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0416	0.0416
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.2611	0.2611
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0017	0.0416	0.5
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0017	0.0416	0.0416
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0123	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0416	0.0416
Leishmania major	glucose transporter, lmgt3	0.0038	0.2306	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.1192	0.1192
Echinococcus granulosus	lamin	0.0026	0.1235	0.1235
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.1235	0.1235
Brugia malayi	hypothetical protein	0.0041	0.2611	0.2516
Loa Loa (eye worm)	sugar transporter	0.0017	0.0416	0.0416
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.2306	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0416	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0416	0.0416
Echinococcus granulosus	synaptic vesicle 2 protein	0.0017	0.0416	0.0416
Trypanosoma cruzi	hexose transporter, putative	0.0021	0.0738	0.1706
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0416	0.0416
Loa Loa (eye worm)	transcription factor SMAD2	0.0112	0.9028	0.9028
Giardia lamblia	Hexose transporter	0.0017	0.0416	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0416	0.0416
Onchocerca volvulus		0.0026	0.1235	1
Brugia malayi	Major Facilitator Superfamily protein	0.0017	0.0416	0.0293
Brugia malayi	Major Facilitator Superfamily protein	0.0017	0.0416	0.0293
Echinococcus granulosus	solute carrier family 22	0.0017	0.0416	0.0416
Trypanosoma cruzi	hexose transporter, putative	0.0038	0.2306	1
Echinococcus granulosus	solute carrier family 22	0.0017	0.0416	0.0416
Trypanosoma brucei	glucose transporter 2A	0.0038	0.2306	1
Giardia lamblia	Sugar-proton symporter	0.0017	0.0416	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0038	0.2306	0.1973
Brugia malayi	hypothetical protein	0.0017	0.0416	0.0293
Brugia malayi	hypothetical protein	0.0017	0.0416	0.0293
Brugia malayi	Major Facilitator Superfamily protein	0.0017	0.0416	0.0293
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0017	0.0416	0.0416
Plasmodium falciparum	hexose transporter	0.0123	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0416	0.0416
Trichomonas vaginalis	glucose transporter, putative	0.0038	0.2306	0.1973
Trypanosoma cruzi	hexose transporter	0.0038	0.2306	1
Trypanosoma brucei	glucose transporter, putative	0.0038	0.2306	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0112	0.9028	0.9028

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Antibacterial activity against Escherichia coli	LITERATURE.	No reference

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: CHEMBL500553

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1001770