Detailed information for compound 232141

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 300.263 | Formula: C16H12O6
  • H donors: 3 H acceptors: 4 LogP: 2.5 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1O)/C=C\1/Oc2c(C1=O)ccc(c2O)O
  • InChi: 1S/C16H12O6/c1-21-11-4-2-3-8(13(11)18)7-12-14(19)9-5-6-10(17)15(20)16(9)22-12/h2-7,17-18,20H,1H3/b12-7+
  • InChiKey: IOSKRARDWYEOKD-KPKJPENVSA-N  


Substructure search Similarity search

Network

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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
Toxoplasma gondii chorismate synthase, putative 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 berghei chorismate synthase, putative Get druggable targets OG5_128304 All targets in OG5_128304
Neospora caninum Chorismate synthase (EC 4.2.3.5), related 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
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
Candida albicans Chorismate synthase 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
Plasmodium yoelii 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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Bile acid receptor homolog 0.0007 0 0.5
Mycobacterium ulcerans chorismate synthase 0.0216 1 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0007 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0007 0 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0007 0 0.5
Toxoplasma gondii chorismate synthase, putative 0.0216 1 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0007 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0 0.5
Schistosoma mansoni coup transcription factor 0.0007 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0007 0 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0007 0 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0007 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0007 0 0.5
Plasmodium vivax chorismate synthase 0.0216 1 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0007 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0007 0 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0007 0 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0007 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0007 0 0.5
Mycobacterium tuberculosis Probable chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase) 0.0106 0.4752 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0007 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0007 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0007 0 0.5
Mycobacterium leprae Chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase). 0.0106 0.4752 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0007 0 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0007 0 0.5
Brugia malayi steroid hormone receptor 0.0007 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0007 0 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0007 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0007 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.0007 0 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0007 0 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0007 0 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0007 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0007 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0007 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0007 0 0.5
Brugia malayi nuclear hormone receptor 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0007 0 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0007 0 0.5
Onchocerca volvulus 0.0007 0 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0007 0 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0007 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0007 0 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0007 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0007 0 0.5
Brugia malayi ecdysteroid receptor 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0007 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0007 0 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0007 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0007 0 0.5
Brugia malayi nuclear receptor NHR-88 0.0007 0 0.5
Plasmodium falciparum chorismate synthase 0.0216 1 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0007 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0007 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.8 uM Inhibitory concentration against Streptococcus pneumoniae chorismate synthase ChEMBL. 12565943
IC50 (binding) = 0.8 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.

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