TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 358.342 | Formula: C19H18O7
H donors: 4 H acceptors: 5 LogP: 2.53 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OCCCCOc1ccc(c(c1)O)/C=C\1/Oc2c(C1=O)ccc(c2O)O
InChi: 1S/C19H18O7/c20-7-1-2-8-25-12-4-3-11(15(22)10-12)9-16-17(23)13-5-6-14(21)18(24)19(13)26-16/h3-6,9-10,20-22,24H,1-2,7-8H2/b16-9+
InChiKey: TYLFODIEMKUZLB-CXUHLZMHSA-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
Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)	Chorismate synthase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	Chorismate synthase (EC 4.2.3.5), related	Get druggable targets OG5_128304	All targets in OG5_128304
Plasmodium berghei	chorismate synthase, putative	Get druggable targets OG5_128304	All targets in OG5_128304
Candida albicans	chorismate synthase	Get druggable targets OG5_128304	All targets in OG5_128304
Plasmodium falciparum	chorismate synthase	Get druggable targets OG5_128304	All targets in OG5_128304
Mycobacterium leprae	Chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase).	Get druggable targets OG5_128304	All targets in OG5_128304
Candida albicans	Chorismate synthase	Get druggable targets OG5_128304	All targets in OG5_128304
Mycobacterium tuberculosis	Probable chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase)	Get druggable targets OG5_128304	All targets in OG5_128304
Plasmodium vivax	chorismate synthase	Get druggable targets OG5_128304	All targets in OG5_128304
Mycobacterium ulcerans	chorismate synthase	Get druggable targets OG5_128304	All targets in OG5_128304
Chlamydia trachomatis	chorismate synthase	Get druggable targets OG5_128304	All targets in OG5_128304
Plasmodium knowlesi	chorismate synthase, putative	Get druggable targets OG5_128304	All targets in OG5_128304
Plasmodium yoelii	chorismate synthase, putative	Get druggable targets OG5_128304	All targets in OG5_128304
Toxoplasma gondii	chorismate synthase, putative	Get druggable targets OG5_128304	All targets in OG5_128304

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	delta-like protein 1	0.0088	0.1499	0.0485
Schistosoma mansoni	notch	0.0088	0.1499	0.0485
Plasmodium vivax	chorismate synthase	0.0216	0.4649	0.5
Echinococcus granulosus	neurogenic locus protein delta	0.0088	0.1499	0.0485
Schistosoma mansoni	cell polarity protein	0.0088	0.1499	0.0485
Brugia malayi	EGF-like domain containing protein	0.0088	0.1499	0.1499
Mycobacterium ulcerans	chorismate synthase	0.0216	0.4649	0.5
Echinococcus granulosus	neurogenic locus notch protein	0.0088	0.1499	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0433	1	1
Loa Loa (eye worm)	hypothetical protein	0.0433	1	1
Schistosoma mansoni	septate junction protein	0.0088	0.1499	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0433	1	1
Echinococcus granulosus	neurogenic locus notch protein	0.0088	0.1499	0.0485
Schistosoma mansoni	notch	0.0088	0.1499	0.0485
Chlamydia trachomatis	chorismate synthase	0.0216	0.4649	0.5
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Brugia malayi	Animal haem peroxidase family protein	0.0433	1	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Brugia malayi	Animal haem peroxidase family protein	0.0433	1	1
Brugia malayi	EGF-like domain containing protein	0.0088	0.1499	0.1499
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Onchocerca volvulus		0.0433	1	1
Loa Loa (eye worm)	Notch2	0.0088	0.1499	0.1499
Echinococcus multilocularis	neurogenic locus notch protein	0.0088	0.1499	0.0485
Brugia malayi	TAR-binding protein	0.007	0.1066	0.1066
Brugia malayi	Calcium binding EGF domain containing protein	0.0088	0.1499	0.1499
Brugia malayi	Cadherin domain containing protein	0.0088	0.1499	0.1499
Loa Loa (eye worm)	hypothetical protein	0.0433	1	1
Onchocerca volvulus		0.0433	1	1
Giardia lamblia	High cysteine protein	0.0088	0.1499	0.5
Schistosoma mansoni	peroxidasin	0.0433	1	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Loa Loa (eye worm)	hypothetical protein	0.0433	1	1
Onchocerca volvulus	Peroxidase homolog	0.0433	1	1
Brugia malayi	EGF-like domain containing protein	0.0088	0.1499	0.1499
Echinococcus granulosus	notch	0.0088	0.1499	0.0485
Mycobacterium tuberculosis	Probable chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase)	0.0106	0.1959	0.5
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Echinococcus multilocularis	protein jagged 1	0.0088	0.1499	0.0485
Echinococcus granulosus	peroxidasin	0.0433	1	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Loa Loa (eye worm)	notch protein	0.0088	0.1499	0.1499
Loa Loa (eye worm)	animal heme peroxidase	0.0433	1	1
Schistosoma mansoni	hypothetical protein	0.0088	0.1499	0.0485
Onchocerca volvulus		0.0433	1	1
Loa Loa (eye worm)	hypothetical protein	0.0433	1	1
Echinococcus multilocularis	protein jagged 2	0.0088	0.1499	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Brugia malayi	Peroxidasin	0.0433	1	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Echinococcus granulosus	neurogenic locus notch protein 4	0.0088	0.1499	0.0485
Onchocerca volvulus	Peroxidasin homolog	0.0433	1	1
Brugia malayi	Muscle positioning protein 4	0.0088	0.1499	0.1499
Echinococcus multilocularis	slit 2 protein	0.0088	0.1499	0.0485
Onchocerca volvulus	Peroxidase homolog	0.0433	1	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0088	0.1499	0.1499
Schistosoma mansoni	hypothetical protein	0.0088	0.1499	0.0485
Schistosoma mansoni	notch	0.0088	0.1499	0.0485
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.007	0.1066	0.1066
Echinococcus multilocularis	neural cadherin	0.0088	0.1499	0.0485
Plasmodium falciparum	chorismate synthase	0.0216	0.4649	0.5
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0088	0.1499	0.1499
Schistosoma mansoni	hypothetical protein	0.0088	0.1499	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Brugia malayi	Delta serrate ligand family protein	0.0088	0.1499	0.1499
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Brugia malayi	Animal haem peroxidase family protein	0.0433	1	1
Brugia malayi	notch-like transmembrane receptor	0.0088	0.1499	0.1499
Echinococcus granulosus	slit 2 protein	0.0088	0.1499	0.0485
Schistosoma mansoni	notch	0.0088	0.1499	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0088	0.1499	0.0485
Brugia malayi	Animal haem peroxidase family protein	0.0433	1	1
Loa Loa (eye worm)	hypothetical protein	0.0433	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0433	1	1
Schistosoma mansoni	notch	0.0088	0.1499	0.0485
Echinococcus multilocularis	peroxidasin	0.0433	1	1
Echinococcus granulosus	protein jagged 2	0.0088	0.1499	0.0485
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0088	0.1499	0.0485
Brugia malayi	Animal haem peroxidase family protein	0.0433	1	1
Brugia malayi	GCC2 and GCC3 family protein	0.0088	0.1499	0.1499
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Echinococcus multilocularis	neurogenic locus protein delta	0.0088	0.1499	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0433	1	1
Echinococcus granulosus	protein jagged 1	0.0088	0.1499	0.0485
Brugia malayi	EGF-like domain containing protein	0.0088	0.1499	0.1499
Schistosoma mansoni	hypothetical protein	0.0088	0.1499	0.0485
Loa Loa (eye worm)	RNA binding protein	0.007	0.1066	0.1066
Schistosoma mansoni	notch	0.0088	0.1499	0.0485
Onchocerca volvulus	Peroxidasin homolog	0.0433	1	1
Schistosoma mansoni	hypothetical protein	0.0088	0.1499	0.0485
Brugia malayi	EGF-like domain containing protein	0.0088	0.1499	0.1499
Loa Loa (eye worm)	hypothetical protein	0.0433	1	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Brugia malayi	Calcium binding EGF domain containing protein	0.0088	0.1499	0.1499
Brugia malayi	RNA recognition motif domain containing protein	0.007	0.1066	0.1066
Loa Loa (eye worm)	hypothetical protein	0.0433	1	1
Brugia malayi	EGF-like domain containing protein	0.0088	0.1499	0.1499
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Loa Loa (eye worm)	blistered cuticle protein 3	0.0433	1	1
Brugia malayi	Blistered cuticle protein 3	0.0433	1	1
Toxoplasma gondii	chorismate synthase, putative	0.0216	0.4649	1
Loa Loa (eye worm)	animal heme peroxidase	0.0433	1	1
Schistosoma mansoni	laminin gamma-3 chain	0.0088	0.1499	0.0485
Schistosoma mansoni	hypothetical protein	0.0088	0.1499	0.0485
Echinococcus multilocularis	fibropellin Ia	0.0088	0.1499	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Echinococcus granulosus	protein jagged 1	0.0088	0.1499	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Brugia malayi	Cadherin domain containing protein	0.0088	0.1499	0.1499
Onchocerca volvulus	Dual oxidase homolog	0.0433	1	1
Loa Loa (eye worm)	hypothetical protein	0.0433	1	1
Echinococcus multilocularis	protein jagged 1	0.0088	0.1499	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0433	1	1
Brugia malayi	RNA binding protein	0.007	0.1066	0.1066
Loa Loa (eye worm)	hypothetical protein	0.0433	1	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Echinococcus multilocularis	neurogenic locus notch protein	0.0088	0.1499	0.0485
Echinococcus granulosus	protein jagged 2	0.0088	0.1499	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Schistosoma mansoni	slit	0.0088	0.1499	0.0485
Echinococcus multilocularis	neurogenic locus protein delta	0.0088	0.1499	0.0485
Echinococcus multilocularis	notch	0.0088	0.1499	0.0485
Loa Loa (eye worm)	TAR-binding protein	0.007	0.1066	0.1066
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Onchocerca volvulus	Chorion peroxidase homolog	0.0433	1	1
Brugia malayi	EGF-like domain containing protein	0.0088	0.1499	0.1499
Loa Loa (eye worm)	hypothetical protein	0.0433	1	1
Echinococcus granulosus	fibropellin Ia	0.0088	0.1499	0.0485
Loa Loa (eye worm)	animal heme peroxidase	0.0433	1	1
Echinococcus granulosus	neural cadherin	0.0088	0.1499	0.0485
Mycobacterium leprae	Chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase).	0.0106	0.1959	0.5
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1499	0.1499
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0088	0.1499	0.0485
Schistosoma mansoni	hypothetical protein	0.0088	0.1499	0.0485
Schistosoma mansoni	peroxidasin	0.0433	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.86 uM	Inhibitory concentration against Streptococcus pneumoniae chorismate synthase	ChEMBL.	12565943
IC50 (binding)	= 0.86 uM	Inhibitory concentration against Streptococcus pneumoniae chorismate synthase	ChEMBL.	12565943

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

No external resources registered for this compound

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 233795