Detailed information for compound 501468

Basic information

Technical information
  • TDR Targets ID: 501468
  • Name: 5-(1,3-benzoxazol-2-yl)benzene-1,3-diol
  • MW: 227.215 | Formula: C13H9NO3
  • H donors: 2 H acceptors: 3 LogP: 2.71 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cc(O)cc(c1)c1nc2c(o1)cccc2
  • InChi: 1S/C13H9NO3/c15-9-5-8(6-10(16)7-9)13-14-11-3-1-2-4-12(11)17-13/h1-7,15-16H
  • InChiKey: YKTWLILRERAQCP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(1,3-benzoxazol-2-yl)resorcinol

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
Schistosoma mansoni thyroid hormone receptor 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.001 0 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.001 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0 0.5
Toxoplasma gondii dihydrodipicolinate synthase 0.0126 1 0.5
Mycobacterium tuberculosis Probable dihydrodipicolinate synthase DapA (DHDPS) (dihydrodipicolinate synthetase) 0.0126 1 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.001 0 0.5
Mycobacterium ulcerans dihydrodipicolinate synthase DapA 0.0126 1 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.001 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0 0.5
Wolbachia endosymbiont of Brugia malayi dihydrodipicolinate synthase 0.0126 1 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0 0.5
Brugia malayi nuclear hormone receptor 0.001 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0 0.5
Brugia malayi nuclear receptor NHR-88 0.001 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0 0.5
Trichomonas vaginalis dihydrodipicolinate synthase, putative 0.0126 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0 0.5
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0 0.5
Brugia malayi ecdysteroid receptor 0.001 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.001 0 0.5
Schistosoma mansoni coup transcription factor 0.001 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0 0.5
Brugia malayi steroid hormone receptor 0.001 0 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.001 0 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0 0.5
Echinococcus multilocularis FTZ F1 alpha 0.001 0 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.001 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0 0.5
Mycobacterium leprae PROBABLE DIHYDRODIPICOLINATE SYNTHASE DAPA (DHDPS) (DIHYDRODIPICOLINATE SYNTHETASE) 0.0126 1 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0 0.5
Mycobacterium ulcerans dihydrodipicolinate synthase 0.0126 1 0.5
Schistosoma mansoni thyroid hormone receptor 0.001 0 0.5
Onchocerca volvulus 0.001 0 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.001 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 26 % Inhibition of human TTR amyloidogenesis assessed as fibril formation at 7.2 uM after 72 hrs by acid-mediated aggregation assay relative to control ChEMBL. 18095641
Activity (binding) = 26 % Inhibition of human TTR amyloidogenesis assessed as fibril formation at 7.2 uM after 72 hrs by acid-mediated aggregation assay relative to control ChEMBL. 18095641

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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