Detailed information for compound 320903

Basic information

Technical information
  • TDR Targets ID: 320903
  • Name: 2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5- ol
  • MW: 256.253 | Formula: C15H12O4
  • H donors: 2 H acceptors: 2 LogP: 3.25 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(O)cc2c1oc(c2)c1ccc(cc1)O
  • InChi: 1S/C15H12O4/c1-18-14-8-12(17)6-10-7-13(19-15(10)14)9-2-4-11(16)5-3-9/h2-8,16-17H,1H3
  • InChiKey: KEWMBPCQWDVBAS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-hydroxyphenyl)-7-methoxy-benzofuran-5-ol
  • 2-(4-hydroxyphenyl)-7-methoxy-5-benzofuranol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens estrogen receptor 2 (ER beta) Starlite/ChEMBL References
Homo sapiens estrogen receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein estrogen receptor 2 (ER beta) 495 aa 418 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax ataxin-2 like protein, putative 0.006 0.0089 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.002 0.002
Echinococcus multilocularis peregrin 0.0034 0.002 0.002
Brugia malayi jmjC domain containing protein 0.0112 0.0232 1
Echinococcus granulosus lysine specific demethylase 5A 0.0042 0.004 0.004
Schistosoma mansoni hypothetical protein 0.0034 0.002 0.1205
Brugia malayi hypothetical protein 0.006 0.0089 0.3254
Brugia malayi jmjC domain containing protein 0.0042 0.004 0.0925
Leishmania major hypothetical protein, conserved 0.006 0.0089 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.004 0.236
Loa Loa (eye worm) hypothetical protein 0.006 0.0089 0.6952
Toxoplasma gondii LsmAD domain-containing protein 0.006 0.0089 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0087 0.6709
Giardia lamblia PHD finger protein 15 0.0034 0.002 0.5
Echinococcus multilocularis thymidine phosphorylase 0.3721 1 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.002 0.1205
Echinococcus multilocularis jumonji domain containing protein 0.0048 0.0057 0.0057
Echinococcus granulosus jumonji domain containing protein 0.0048 0.0057 0.0057
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.004 0.236
Echinococcus granulosus peregrin 0.0034 0.002 0.002
Loa Loa (eye worm) jmjC domain-containing protein 0.0042 0.004 0.1976
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.3721 1 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.002 0.002
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0112 0.0232 0.0232
Onchocerca volvulus Alhambra homolog 0.0034 0.002 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.006 0.0089 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0042 0.004 0.004
Plasmodium falciparum ataxin-2 like protein, putative 0.006 0.0089 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0119 1
Trypanosoma cruzi PAB1-binding protein , putative 0.006 0.0089 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.006 0.0089 0.5
Brugia malayi hypothetical protein 0.0039 0.0032 0.0543
Trypanosoma cruzi PAB1-binding protein , putative 0.006 0.0089 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0112 0.0232 0.0232
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.105 0.2771 0.5
Mycobacterium ulcerans thymidine phosphorylase 0.3721 1 1
Schistosoma mansoni jumonji domain containing protein 0.0089 0.0169 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 10 nM Binding affinity for human Estrogen receptor beta ChEMBL. 15341953
IC50 (binding) = 10 nM Binding affinity for human Estrogen receptor beta ChEMBL. 15341953
IC50 (binding) = 483 nM Binding affinity for human Estrogen receptor alpha ChEMBL. 15341953
IC50 (binding) = 483 nM Binding affinity for human Estrogen receptor alpha ChEMBL. 15341953
Selectivity (binding) = 49 Ratio of IC50 for binding to Estrogen receptor alpha and beta ChEMBL. 15341953
Selectivity (binding) = 49 Ratio of IC50 for binding to Estrogen receptor alpha and beta ChEMBL. 15341953

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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