Detailed information for compound 154238

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 190.195 | Formula: C11H10O3
  • H donors: 2 H acceptors: 3 LogP: 2.37 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=CC=Cc1ccccc1)O
  • InChi: 1S/C11H10O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-8,12H,(H,13,14)
  • InChiKey: GLWRMTREQIBSCI-UHFFFAOYSA-N  

Network

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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

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) steroid hormone receptor 0.0498 0.2649 1
Trypanosoma cruzi glutamine synthetase, putative 0.0675 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0498 0.2649 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0498 0.2649 0.5
Loa Loa (eye worm) hypothetical protein 0.0498 0.2649 1
Onchocerca volvulus Bile acid receptor homolog 0.0498 0.2649 1
Brugia malayi Nuclear hormone receptor-like 1 0.0498 0.2649 0.5
Loa Loa (eye worm) hypothetical protein 0.0498 0.2649 1
Onchocerca volvulus 0.0498 0.2649 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0498 0.2649 0.5
Brugia malayi steroid hormone receptor 0.0498 0.2649 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0498 0.2649 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0498 0.2649 0.5
Brugia malayi nuclear receptor NHR-88 0.0498 0.2649 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0498 0.2649 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0498 0.2649 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0498 0.2649 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0498 0.2649 1
Plasmodium falciparum glutamine synthetase, putative 0.0434 0 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0498 0.2649 1
Toxoplasma gondii glutamine synthetase, type I, putative 0.0434 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0498 0.2649 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0498 0.2649 0.5
Brugia malayi ecdysteroid receptor 0.0498 0.2649 0.5
Loa Loa (eye worm) hypothetical protein 0.0498 0.2649 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0498 0.2649 0.5
Mycobacterium ulcerans glutamine synthetase GlnA1 0.0434 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0498 0.2649 1
Loa Loa (eye worm) hypothetical protein 0.0498 0.2649 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0498 0.2649 0.5
Mycobacterium leprae PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) 0.0434 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0498 0.2649 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0498 0.2649 0.5
Loa Loa (eye worm) hypothetical protein 0.0498 0.2649 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0498 0.2649 0.5
Leishmania major glutamine synthetase, putative 0.0675 1 0.5
Trypanosoma brucei glutamine synthetase, putative 0.0675 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0498 0.2649 0.5
Loa Loa (eye worm) hypothetical protein 0.0498 0.2649 1
Brugia malayi Steroid receptor seven-up type 2 0.0498 0.2649 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0498 0.2649 1
Brugia malayi nuclear hormone receptor 0.0498 0.2649 0.5
Mycobacterium ulcerans glutamine synthetase 0.0434 0 0.5
Mycobacterium tuberculosis Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) 0.0434 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0498 0.2649 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0498 0.2649 1
Trypanosoma cruzi glutamine synthetase, putative 0.0675 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0498 0.2649 1
Plasmodium vivax glutamine synthetase, putative 0.0434 0 0.5
Schistosoma mansoni glutamine synthetase 1 2 (glutamate-amonia ligase) (gs) 0.0675 1 1
Loa Loa (eye worm) hypothetical protein 0.0498 0.2649 1
Echinococcus multilocularis glutamine synthetase 0.0675 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0498 0.2649 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 5 mg ear-1 In vivo inhibition of AA induced ear oedema in mice following topical administration. ChEMBL. 2213827
ED50 (functional) > 5 mg ear-1 In vivo inhibition of AA induced ear oedema in mice following topical administration. ChEMBL. 2213827
IC50 (binding) > 50 uM In vitro for prostaglandin G/H synthase inhibitory activity against rat basophil leukemia type 1 cell homogenates, by measuring the radioactivity of [14C]-PGD2 ChEMBL. 2213827
IC50 (binding) = 50 uM Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation) ChEMBL. 2213827
IC50 (binding) = 50 uM In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay) ChEMBL. 2213827
IC50 (binding) > 50 uM In vitro for prostaglandin G/H synthase inhibitory activity against rat basophil leukemia type 1 cell homogenates, by measuring the radioactivity of [14C]-PGD2 ChEMBL. 2213827
IC50 (binding) = 50 uM Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation) ChEMBL. 2213827
IC50 (binding) = 50 uM In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay) ChEMBL. 2213827

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

Bibliographic References

1 literature reference was collected for this gene.

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