TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 290.356 | Formula: C20H18O2
H donors: 2 H acceptors: 2 LogP: 5.79 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC/C(=C\c1cc(O)cc(c1)O)/c1ccc2c(c1)cccc2
InChi: 1S/C20H18O2/c1-2-15(9-14-10-19(21)13-20(22)11-14)18-8-7-16-5-3-4-6-17(16)12-18/h3-13,21-22H,2H2,1H3/b15-9+
InChiKey: FTUQENJZQBJPEU-OQLLNIDSSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	prostaglandin-endoperoxide synthase 1 (prostaglandin G/H synthase and cyclooxygenase)	Starlite/ChEMBL	References
Homo sapiens	prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase)	Starlite/ChEMBL	References

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 granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0009	0.0233	0.0391
Echinococcus granulosus	neurogenic locus notch protein 4	0.0021	0.1376	0.2311
Echinococcus granulosus	protein jagged 2	0.0021	0.1376	0.2311
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Echinococcus granulosus	roundabout 2	0.0013	0.065	0.1091
Giardia lamblia	High cysteine protein	0.0021	0.1376	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0063	0.5575	0.5575
Brugia malayi	Animal haem peroxidase family protein	0.0063	0.5575	0.5575
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0109	1	1
Echinococcus granulosus	protein jagged 2	0.0021	0.1376	0.2311
Echinococcus granulosus	protein jagged 1	0.0021	0.1376	0.2311
Loa Loa (eye worm)	hypothetical protein	0.0063	0.5575	0.5575
Echinococcus granulosus	delta-like protein 1	0.0021	0.1376	0.2311
Echinococcus granulosus	neurogenic locus protein delta	0.0021	0.1376	0.2311
Echinococcus multilocularis	Immunoglobulin	0.0007	0.0021	0.0035
Echinococcus multilocularis	roundabout 2	0.0013	0.065	0.1091
Onchocerca volvulus	Peroxidase homolog	0.0063	0.5575	0.5296
Brugia malayi	Animal haem peroxidase family protein	0.0063	0.5575	0.5575
Brugia malayi	Muscle positioning protein 4	0.0021	0.1376	0.1376
Echinococcus granulosus	neuroglian	0.0008	0.0187	0.0314
Brugia malayi	GCC2 and GCC3 family protein	0.0021	0.1376	0.1376
Echinococcus multilocularis	slit 2 protein	0.0021	0.1376	0.2311
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Echinococcus multilocularis	neurogenic locus protein delta	0.0021	0.1376	0.2311
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0399	0.0399
Schistosoma mansoni	cell adhesion molecule	0.0011	0.0484	0.0836
Schistosoma mansoni	nephrin	0.0011	0.0438	0.0756
Schistosoma mansoni	notch	0.0021	0.1376	0.2377
Loa Loa (eye worm)	animal heme peroxidase	0.0063	0.5575	0.5575
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Schistosoma mansoni	hypothetical protein	0.0021	0.1376	0.2377
Brugia malayi	Animal haem peroxidase family protein	0.0063	0.5575	0.5575
Brugia malayi	EGF-like domain containing protein	0.0021	0.1376	0.1376
Loa Loa (eye worm)	hypothetical protein	0.0063	0.5575	0.5575
Onchocerca volvulus		0.0063	0.5575	0.5296
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0007	0.0021	0.0036
Echinococcus multilocularis	neurogenic locus notch protein	0.0021	0.1376	0.2311
Onchocerca volvulus		0.0099	0.9006	0.9623
Brugia malayi	EGF-like domain containing protein	0.0021	0.1376	0.1376
Brugia malayi	Cadherin domain containing protein	0.0021	0.1376	0.1376
Schistosoma mansoni	notch	0.0021	0.1376	0.2377
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Brugia malayi	Calcium binding EGF domain containing protein	0.0021	0.1376	0.1376
Loa Loa (eye worm)	hypothetical protein	0.0067	0.5953	0.5953
Brugia malayi	Blistered cuticle protein 3	0.0063	0.5575	0.5575
Loa Loa (eye worm)	hypothetical protein	0.0063	0.5575	0.5575
Echinococcus granulosus	neurogenic locus notch protein	0.0021	0.1376	0.2311
Brugia malayi	Animal haem peroxidase family protein	0.0065	0.5741	0.5741
Onchocerca volvulus		0.0063	0.5575	0.5296
Onchocerca volvulus	Peroxidase homolog	0.0063	0.5575	0.5296
Echinococcus granulosus	protein jagged 1	0.0021	0.1376	0.2311
Loa Loa (eye worm)	hypothetical protein	0.0063	0.5575	0.5575
Brugia malayi	Delta serrate ligand family protein	0.0021	0.1376	0.1376
Brugia malayi	notch-like transmembrane receptor	0.0021	0.1376	0.1376
Brugia malayi	Calcium binding EGF domain containing protein	0.0021	0.1376	0.1376
Echinococcus granulosus	twitchin	0.0008	0.0187	0.0314
Echinococcus granulosus	notch	0.0021	0.1376	0.2311
Echinococcus multilocularis	neural cadherin	0.0021	0.1376	0.2311
Schistosoma mansoni	hypothetical protein	0.0021	0.1376	0.2377
Echinococcus multilocularis	protein jagged 1	0.0021	0.1376	0.2311
Schistosoma mansoni	cell polarity protein	0.0021	0.1376	0.2377
Schistosoma mansoni	hypothetical protein	0.0021	0.1376	0.2377
Schistosoma mansoni	notch	0.0021	0.1376	0.2377
Schistosoma mansoni	laminin gamma-3 chain	0.0021	0.1376	0.2377
Brugia malayi	Animal haem peroxidase family protein	0.0063	0.5575	0.5575
Echinococcus granulosus	defective proboscis extension response	0.0007	0.0021	0.0035
Brugia malayi	EGF-like domain containing protein	0.0021	0.1376	0.1376
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Loa Loa (eye worm)	animal heme peroxidase	0.0063	0.5575	0.5575
Onchocerca volvulus	Peroxidasin homolog	0.0065	0.5741	0.5505
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0021	0.0021
Loa Loa (eye worm)	blistered cuticle protein 3	0.0063	0.5575	0.5575
Loa Loa (eye worm)	hypothetical protein	0.0063	0.5575	0.5575
Loa Loa (eye worm)	notch protein	0.0021	0.1376	0.1376
Schistosoma mansoni	hypothetical protein	0.0021	0.1376	0.2377
Brugia malayi	Peroxidasin	0.0067	0.5953	0.5953
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0272	0.0272
Echinococcus multilocularis	protein jagged 2	0.0021	0.1376	0.2311
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Loa Loa (eye worm)	hypothetical protein	0.0063	0.5575	0.5575
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0021	0.0021
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0021	0.1376	0.1376
Onchocerca volvulus	Chorion peroxidase homolog	0.0063	0.5575	0.5296
Brugia malayi	hypothetical protein	0.0063	0.5575	0.5575
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0272	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0021	0.1376	0.2311
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0021	0.0021
Schistosoma mansoni	septate junction protein	0.0021	0.1376	0.2377
Schistosoma mansoni	slit	0.0021	0.1376	0.2377
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0272	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0233	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Brugia malayi	Cadherin domain containing protein	0.0021	0.1376	0.1376
Echinococcus granulosus	slit 2 protein	0.0021	0.1376	0.2311
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0021	0.1376	0.2377
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Schistosoma mansoni	notch	0.0021	0.1376	0.2377
Echinococcus granulosus	fibropellin Ia	0.0021	0.1376	0.2311
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Brugia malayi	EGF-like domain containing protein	0.0021	0.1376	0.1376
Schistosoma mansoni	peroxidasin	0.0066	0.5787	1
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0007	0.0021	0.0035
Brugia malayi	Calcium binding EGF domain containing protein	0.0021	0.1376	0.1376
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0007	0.0021	0.0036
Schistosoma mansoni	peroxidasin	0.0063	0.5575	0.9634
Brugia malayi	Fibronectin type III domain containing protein	0.0009	0.0272	0.0272
Toxoplasma gondii	EGF family domain-containing protein	0.0021	0.1376	0.5
Onchocerca volvulus		0.0063	0.5575	0.5296
Echinococcus multilocularis	protein jagged 1	0.0021	0.1376	0.2311
Brugia malayi	EGF-like domain containing protein	0.0021	0.1376	0.1376
Schistosoma mansoni	notch	0.0021	0.1376	0.2377
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Echinococcus multilocularis	neurogenic locus notch protein	0.0021	0.1376	0.2311
Loa Loa (eye worm)	animal heme peroxidase	0.0065	0.5741	0.5741
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Echinococcus multilocularis	peroxidasin	0.0067	0.5953	1
Schistosoma mansoni	hypothetical protein	0.0021	0.1376	0.2377
Loa Loa (eye worm)	hypothetical protein	0.0063	0.5575	0.5575
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0399	0.0399
Schistosoma mansoni	vesicular amine transporter	0.0007	0.0021	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0063	0.5575	0.5575
Echinococcus granulosus	neurogenic locus notch protein	0.0021	0.1376	0.2311
Brugia malayi	EGF-like domain containing protein	0.0021	0.1376	0.1376
Schistosoma mansoni	hypothetical protein	0.0021	0.1376	0.2377
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Onchocerca volvulus	Peroxidasin homolog	0.0065	0.5741	0.5505
Onchocerca volvulus	Dual oxidase homolog	0.0063	0.5575	0.5296
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0021	0.1376	0.2311
Loa Loa (eye worm)	hypothetical protein	0.0063	0.5575	0.5575
Loa Loa (eye worm)	hypothetical protein	0.0063	0.5575	0.5575
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Echinococcus granulosus	neural cadherin	0.0021	0.1376	0.2311
Echinococcus multilocularis	Immunoglobulin	0.0007	0.0021	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Loa Loa (eye worm)	hypothetical protein	0.0063	0.5575	0.5575
Schistosoma mansoni	notch	0.0021	0.1376	0.2377
Brugia malayi	hypothetical protein	0.0009	0.0272	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Echinococcus multilocularis	notch	0.0021	0.1376	0.2311
Echinococcus multilocularis	neuroglian	0.0008	0.0187	0.0314
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0009	0.0272	0.0272
Schistosoma mansoni	hypothetical protein	0.0021	0.1376	0.2377
Echinococcus multilocularis	neurogenic locus protein delta	0.0021	0.1376	0.2311
Loa Loa (eye worm)	hypothetical protein	0.0063	0.5575	0.5575
Loa Loa (eye worm)	hypothetical protein	0.0063	0.5575	0.5575
Echinococcus granulosus	peroxidasin	0.0067	0.5953	1
Loa Loa (eye worm)	Notch2	0.0021	0.1376	0.1376
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1376	0.1376
Brugia malayi	EGF-like domain containing protein	0.0021	0.1376	0.1376
Echinococcus granulosus	Immunoglobulin	0.0007	0.0021	0.0035
Echinococcus multilocularis	fibropellin Ia	0.0021	0.1376	0.2311
Onchocerca volvulus	Tyrosine kinase homolog	0.0102	0.9305	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.17 uM	Inhibition of COX1	ChEMBL.	18487053
IC50 (binding)	= 3.3 uM	Inhibition of COX2	ChEMBL.	18487053

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: CHEMBL513053

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1009407