TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 424.488 | Formula: C28H24O4
H donors: 3 H acceptors: 3 LogP: 6.52 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc2c(c1)CCc1ccc(c(c1)Oc1ccc(CCc3ccc2c(O)c3)cc1)O
InChi: 1S/C28H24O4/c29-22-9-13-24-21(17-22)8-3-20-7-14-26(30)28(16-20)32-23-10-4-18(5-11-23)1-2-19-6-12-25(24)27(31)15-19/h4-7,9-17,29-31H,1-3,8H2
InChiKey: CTXRIYJNXKLXCR-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 granulosus	dihydrofolate reductase	0.004	0.0568	0.025
Schistosoma mansoni	hypothetical protein	0.0069	0.1845	0.5217
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0251	1	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0106	0.3537	0.3319
Echinococcus granulosus	glutamate receptor 2	0.0036	0.0385	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0385	0.0076
Echinococcus multilocularis	thymidylate synthase	0.0098	0.3181	0.2951
Brugia malayi	Guanylyl cyclase protein 23	0.0036	0.0385	0.0076
Schistosoma mansoni	glutamate receptor NMDA	0.0106	0.3537	1
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.007	0.1921	0.1649
Chlamydia trachomatis	glutamine binding protein	0.018	0.6848	1
Schistosoma mansoni	metabotropic glutamate receptor	0.0036	0.0385	0.1089
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.007	0.1921	0.1649
Echinococcus multilocularis	glutamate receptor 2	0.0106	0.3537	0.3319
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0106	0.3537	0.3319
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0036	0.0385	0.0061
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0047	0.0868	0.1051
Schistosoma mansoni	protein kinase	0.0036	0.0385	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0385	0.0076
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0106	0.3537	0.3319
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0036	0.0385	0.0061
Brugia malayi	Glutamate receptor 1 precursor	0.007	0.1921	0.2067
Schistosoma mansoni	glutamate receptor kainate	0.007	0.1921	0.5432
Brugia malayi	hypothetical protein	0.0036	0.0385	0.0076
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0036	0.0385	0.0076
Schistosoma mansoni	glutamate receptor NMDA	0.007	0.1921	0.5432
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0385	0.0076
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0139	0.498	0.5
Onchocerca volvulus		0.0098	0.3181	0.3699
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0098	0.3181	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0106	0.3537	0.3319
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0385	0.0076
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0139	0.498	1
Echinococcus multilocularis	tyrosine kinase	0.0036	0.0385	0.0061
Echinococcus granulosus	glutamate receptor subunit protein glur	0.007	0.1921	0.1649
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0036	0.0385	0.0076
Echinococcus granulosus	glutamate NMDA receptor subunit	0.007	0.1921	0.1649
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0139	0.498	1
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.018	0.6848	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0385	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0385	0.0076
Mycobacterium tuberculosis	Hypothetical protein	0.0047	0.0868	0.0477
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0036	0.0385	0.0061
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.007	0.1921	0.1649
Echinococcus multilocularis	NMDA receptor	0.007	0.1921	0.1649
Schistosoma mansoni	glutamate receptor AMPA	0.007	0.1921	0.5432
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0385	0.0076
Echinococcus granulosus	glutamate receptor 2	0.0106	0.3537	0.3319
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0036	0.0385	0.0076
Entamoeba histolytica	hypothetical protein	0.0036	0.0385	0.5
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.018	0.6848	0.5
Schistosoma mansoni	caspase-7 (C14 family)	0.0035	0.0326	0.0923
Echinococcus multilocularis	nmda type glutamate receptor	0.0251	1	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0326	0.0923
Brugia malayi	Receptor family ligand binding region containing protein	0.0036	0.0385	0.0076
Brugia malayi	ecdysteroid receptor	0.0207	0.8043	1
Schistosoma mansoni	glutamate receptor kainate	0.007	0.1921	0.5432
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0036	0.0385	0.0076
Loa Loa (eye worm)	glutamate receptor	0.0036	0.0385	0.0076
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.007	0.1921	0.1649
Schistosoma mansoni	tyrosine kinase	0.0036	0.0385	0.1089
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0098	0.3181	0.8993
Brugia malayi	Glutamate receptor 2 precursor	0.007	0.1921	0.2067
Brugia malayi	thymidylate synthase	0.0098	0.3181	0.3699
Echinococcus granulosus	receptor type guanylyl cyclase	0.0036	0.0385	0.0061
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0139	0.498	1
Onchocerca volvulus	Bile acid receptor homolog	0.0207	0.8043	1
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.007	0.1921	0.1649
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0036	0.0385	0.0061
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.007	0.1921	0.1649
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0106	0.3537	0.3319
Echinococcus granulosus	tyrosine kinase	0.0036	0.0385	0.0061
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0036	0.0385	0.0061
Brugia malayi	dihydrofolate reductase family protein	0.004	0.0568	0.0313
Brugia malayi	Receptor family ligand binding region containing protein	0.0036	0.0385	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0385	0.0076
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0139	0.498	0.5
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0106	0.3537	0.3319
Brugia malayi	metabotropic glutamate receptor type 2	0.0036	0.0385	0.0076
Schistosoma mansoni	hypothetical protein	0.007	0.1921	0.5432
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0036	0.0385	0.0061
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0868	0.5
Schistosoma mansoni	ATP-binding cassette transporter	0.007	0.1921	0.5432
Loa Loa (eye worm)	glutamate receptor 1	0.007	0.1921	0.2067
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0036	0.0385	0.0076
Schistosoma mansoni	metabotropic glutamate receptor	0.0036	0.0385	0.1089
Schistosoma mansoni	tyrosine kinase	0.0036	0.0385	0.1089
Mycobacterium ulcerans	thymidylate synthase	0.0098	0.3181	0.416
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0385	0.0076
Echinococcus multilocularis	dihydrofolate reductase	0.004	0.0568	0.025
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.018	0.6848	0.5
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0098	0.3181	0.416
Echinococcus granulosus	nmda type glutamate receptor	0.0036	0.0385	0.0061
Brugia malayi	hypothetical protein	0.0047	0.0868	0.0702
Schistosoma mansoni	glutamate receptor kainate	0.007	0.1921	0.5432
Brugia malayi	Dihydrofolate reductase	0.004	0.0568	0.0313
Loa Loa (eye worm)	glutamate receptor 2	0.007	0.1921	0.2067
Echinococcus multilocularis	glutamate receptor 2	0.007	0.1921	0.1649
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.018	0.6848	1
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.007	0.1921	0.1649
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0139	0.498	0.5
Schistosoma mansoni	dihydrofolate reductase	0.004	0.0568	0.1607
Loa Loa (eye worm)	dihydrofolate reductase	0.004	0.0568	0.0313
Echinococcus multilocularis	nmda type glutamate receptor	0.0036	0.0385	0.0061
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0036	0.0385	0.0076
Onchocerca volvulus		0.0036	0.0385	0.0076
Schistosoma mansoni	glutamate receptor AMPA	0.007	0.1921	0.5432
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0106	0.3537	0.3319
Loa Loa (eye worm)	hypothetical protein	0.0207	0.8043	1
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.018	0.6848	1
Onchocerca volvulus		0.0036	0.0385	0.0076
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0036	0.0385	0.0076
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0036	0.0385	0.0061
Echinococcus granulosus	thymidylate synthase	0.0098	0.3181	0.2951
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0036	0.0385	0.0076
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0036	0.0385	0.0076
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0106	0.3537	0.3319
Echinococcus multilocularis	glutamate receptor 2	0.0036	0.0385	0.0061
Loa Loa (eye worm)	thymidylate synthase	0.0098	0.3181	0.3699

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

ChEMBL: CHEMBL3094332

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1826812