TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 302.322 | Formula: C17H18O5
H donors: 0 H acceptors: 1 LogP: 3.11 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(cc(c1OC)OC)C(=O)/C=C/c1ccc(o1)C
InChi: 1S/C17H18O5/c1-11-5-6-13(22-11)7-8-14(18)12-9-15(19-2)17(21-4)16(10-12)20-3/h5-10H,1-4H3/b8-7+
InChiKey: RFFHSFLLPNEBDF-BQYQJAHWSA-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
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0093	0.0199	0.0199
Schistosoma mansoni	pyruvate kinase	0.0036	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0084	0.0084
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0093	0.0199	0.0199
Plasmodium falciparum	pyruvate kinase	0.0036	0.005	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0049	0.0084	0.0084
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0093	0.0199	0.0199
Schistosoma mansoni	nuclear hormone receptor	0.0093	0.0199	0.0199
Loa Loa (eye worm)	hyaluronidase	0.3838	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0093	0.0199	0.0199
Schistosoma mansoni	Hyaluronidase	0.3838	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0093	0.0199	0.0199
Echinococcus multilocularis	ecdysone induced protein 78C	0.0093	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0084	0.0084
Loa Loa (eye worm)	pyruvate kinase-PB	0.0025	0.0021	0.0021
Brugia malayi	nuclear receptor NHR-88	0.0093	0.0199	0.0199
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0044	0.007	0.1378
Brugia malayi	nuclear receptor RXR	0.0044	0.007	0.007
Loa Loa (eye worm)	nuclear hormone receptor	0.0044	0.007	0.007
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0093	0.0199	0.0199
Schistosoma mansoni	nuclear receptor	0.0044	0.007	0.007
Echinococcus multilocularis	FTZ F1 alpha	0.0093	0.0199	0.0199
Toxoplasma gondii	pyruvate kinase PyK1	0.0036	0.005	1
Echinococcus granulosus	bifunctional protein NCOAT	0.3838	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0093	0.0199	0.0199
Brugia malayi	nuclear hormone receptor	0.0093	0.0199	0.0199
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0036	0.005	1
Schistosoma mansoni	aminopeptidase P homologue (M24 family)	0.3838	1	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0044	0.007	0.007
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0044	0.007	0.007
Echinococcus granulosus	pyruvate kinase	0.0036	0.005	0.005
Onchocerca volvulus		0.0044	0.007	0.1378
Echinococcus multilocularis	pyruvate kinase	0.0036	0.005	0.005
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0036	0.005	0.5
Plasmodium vivax	pyruvate kinase, putative	0.0036	0.005	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0199	0.0199
Toxoplasma gondii	pyruvate kinase PyKII	0.0019	0.0004	0.0753
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0093	0.0199	0.0199
Brugia malayi	nuclear receptor RXR	0.0049	0.0084	0.0084
Schistosoma mansoni	pyruvate kinase	0.0019	0.0004	0.0004
Brugia malayi	conserved hypotetical protein	0.0044	0.007	0.007
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0093	0.0199	0.0199
Schistosoma mansoni	coup transcription factor	0.0093	0.0199	0.0199
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0036	0.005	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0093	0.0199	0.0199
Schistosoma mansoni	RAR-like nuclear receptor	0.0093	0.0199	0.0199
Brugia malayi	Nuclear hormone receptor-like 1	0.0049	0.0084	0.0084
Echinococcus granulosus	pyruvate kinase	0.0036	0.005	0.005
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0044	0.007	0.007
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0096	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0199	0.0199
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0093	0.0199	0.0199
Echinococcus multilocularis	bifunctional protein NCOAT	0.3838	1	1
Echinococcus multilocularis	pyruvate kinase	0.0036	0.005	0.005
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0093	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0199	0.0199
Brugia malayi	orphan nuclear receptor NR2E1	0.0044	0.007	0.007
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0093	0.0199	0.0199
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0093	0.0199	0.0199
Schistosoma mansoni	thyroid hormone receptor	0.0093	0.0199	0.0199
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0093	0.0199	0.0199
Brugia malayi	Nuclear hormone receptor-like 1	0.0093	0.0199	0.0199
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0093	0.0199	0.0199
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0093	0.0199	0.0199
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0044	0.007	0.007
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0093	0.0199	0.0199
Leishmania major	pyruvate kinase	0.0036	0.005	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0093	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0044	0.007	0.007
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0093	0.0199	0.0199
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0093	0.0199	0.0199
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0093	0.0199	0.0199
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0093	0.0199	0.0199
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0044	0.007	0.007
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0044	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.1631	0.4222	0.4222
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0052	0.0052
Giardia lamblia	Pyruvate kinase	0.0036	0.005	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0044	0.007	0.007
Brugia malayi	Nuclear hormone receptor E75	0.0044	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.0044	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0199	0.0199
Brugia malayi	ecdysteroid receptor	0.0093	0.0199	0.0199
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0093	0.0199	0.0199
Trypanosoma brucei	pyruvate kinase 1	0.0036	0.005	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0044	0.007	0.007
Echinococcus granulosus	nuclear receptor nhr 48	0.0044	0.007	0.007
Echinococcus granulosus	ecdysone induced protein 78C	0.0093	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0044	0.007	0.007
Echinococcus multilocularis	pyruvate kinase	0.0019	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0021	0.0021
Onchocerca volvulus	Protein ultraspiracle homolog	0.0093	0.0199	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.007	0.007
Loa Loa (eye worm)	steroid hormone receptor	0.0093	0.0199	0.0199
Loa Loa (eye worm)	pyruvate kinase	0.0036	0.005	0.005
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0044	0.007	0.1378
Brugia malayi	hypothetical protein	0.0049	0.0084	0.0084
Brugia malayi	Steroid receptor seven-up type 2	0.0093	0.0199	0.0199
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0044	0.007	0.007
Brugia malayi	nuclear hormone receptor	0.0044	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.0044	0.007	0.007
Brugia malayi	nuclear receptor NHR-88	0.0044	0.007	0.007
Entamoeba histolytica	pyruvate kinase, putative	0.0025	0.0021	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0093	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0084	0.0084
Trichomonas vaginalis	pyruvate kinase, putative	0.0036	0.005	0.5
Schistosoma mansoni	pyruvate kinase	0.0036	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0199	0.0199
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0093	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0044	0.007	0.007
Brugia malayi	hypothetical protein	0.0044	0.007	0.007
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0093	0.0199	0.0199
Schistosoma mansoni	nuclear receptor nhr-48	0.0044	0.007	0.007
Echinococcus multilocularis	pyruvate kinase	0.0019	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0199	0.0199
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0036	0.005	0.005
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0093	0.0199	0.0199
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0044	0.007	0.007
Loa Loa (eye worm)	pyruvate kinase	0.0036	0.005	0.005
Onchocerca volvulus	Bile acid receptor homolog	0.0093	0.0199	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0049	0.0084	0.0084
Loa Loa (eye worm)	DR-78	0.0044	0.007	0.007
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0093	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0044	0.007	0.007
Echinococcus multilocularis	nuclear receptor nhr 48	0.0044	0.007	0.007
Echinococcus granulosus	pyruvate kinase	0.0019	0.0004	0.0004
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0093	0.0199	0.0199
Onchocerca volvulus		0.0093	0.0199	1
Brugia malayi	steroid hormone receptor	0.0093	0.0199	0.0199
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0044	0.007	0.007
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0093	0.0199	0.0199
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0093	0.0199	0.0199
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0044	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.0044	0.007	0.007
Trypanosoma brucei	pyruvate kinase 1, putative	0.0036	0.005	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0093	0.0199	0.0199
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0096	0.0096
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0044	0.007	0.007
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0044	0.007	0.007
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0036	0.005	1
Brugia malayi	hypothetical protein	0.0049	0.0084	0.0084
Plasmodium vivax	pyruvate kinase 2, putative	0.0019	0.0004	0.0753
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0093	0.0199	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0044	0.007	0.007
Brugia malayi	Nuclear hormone receptor E75	0.0044	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.0044	0.007	0.007
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0093	0.0199	0.0199
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0044	0.007	0.007
Brugia malayi	hypothetical protein	0.0044	0.007	0.007
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0049	0.0084	0.0084
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0093	0.0199	0.0199
Echinococcus granulosus	FTZ F1 alpha	0.0093	0.0199	0.0199
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0036	0.005	0.005
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0044	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0096	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0044	0.007	0.007
Echinococcus granulosus	pyruvate kinase	0.0019	0.0004	0.0004
Echinococcus multilocularis	pyruvate kinase	0.0029	0.003	0.003
Schistosoma mansoni	nuclear hormone receptor	0.0044	0.007	0.007
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0093	0.0199	0.0199
Brugia malayi	nuclear receptor NHR-67	0.0044	0.007	0.007
Schistosoma mansoni	hypothetical protein	0.0037	0.0052	0.0052
Schistosoma mansoni	nuclear receptor	0.0044	0.007	0.007
Echinococcus granulosus	pyruvate kinase	0.0019	0.0004	0.0004
Mycobacterium ulcerans	pyruvate kinase	0.0036	0.005	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0093	0.0199	0.0199
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0044	0.007	0.007
Leishmania major	pyruvate kinase	0.0036	0.005	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0093	0.0199	0.0199
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0049	0.0084	0.0084
Schistosoma mansoni	nuclear hormone receptor	0.0044	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0084	0.0084
Echinococcus multilocularis	pyruvate kinase	0.0019	0.0004	0.0004
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0096	0.0096
Chlamydia trachomatis	pyruvate kinase	0.0036	0.005	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0049	0.0084	0.0084
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0093	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0084	0.0084
Brugia malayi	photoreceptor-specific nuclear receptor	0.0093	0.0199	0.0199
Onchocerca volvulus		0.0044	0.007	0.1378
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0199	0.0199
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0093	0.0199	0.0199
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0093	0.0199	0.0199
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0049	0.0084	0.0084
Echinococcus granulosus	thyroid hormone receptor alpha	0.0044	0.007	0.007
Brugia malayi	tailless protein	0.0044	0.007	0.007
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0093	0.0199	0.0199
Schistosoma mansoni	zinc finger protein	0.0044	0.007	0.007
Trichomonas vaginalis	pyruvate kinase, putative	0.0036	0.005	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.005	0.005
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0093	0.0199	0.0199
Brugia malayi	ecdysone receptor	0.0044	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.0044	0.007	0.007
Plasmodium falciparum	pyruvate kinase 2	0.0019	0.0004	0.0753
Loa Loa (eye worm)	pyruvate kinase	0.0036	0.005	0.005

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 46.5 uM	Cytotoxicity against mouse L1210 cells after 24 hrs by MTT assay	ChEMBL.	23524161

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: CHEMBL2377595

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 1766400