Detailed information for compound 519576

Basic information

Technical information
  • TDR Targets ID: 519576
  • Name: 7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochro men-4-one
  • MW: 256.253 | Formula: C15H12O4
  • H donors: 2 H acceptors: 3 LogP: 2.19 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cccc(c1)C1CC(=O)c2c(O1)cc(cc2)O
  • InChi: 1S/C15H12O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2
  • InChiKey: MXNJBOFUFMJXOB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-hydroxy-2-(3-hydroxyphenyl)chroman-4-one
  • 7-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
  • 7-hydroxy-2-(3-hydroxyphenyl)-4-chromanone
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(3-hydroxyphenyl)-
  • 7-Hydroxy-2-(3-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 19, subfamily A, polypeptide 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
Trypanosoma cruzi cytochrome P450, putative cytochrome P450, family 19, subfamily A, polypeptide 1 503 aa 425 aa 18.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii brix domain-containing protein 0.0053 0.4333 0.5
Entamoeba histolytica brix domain containing protein 0.0053 0.4333 0.5
Schistosoma mansoni peter pan-related 0.0053 0.4333 0.4333
Echinococcus granulosus peter pan 0.0053 0.4333 1
Brugia malayi Brix domain containing protein 0.0053 0.4333 1
Trypanosoma cruzi peter pan protein, putative 0.0053 0.4333 0.5
Echinococcus multilocularis peter pan 0.0053 0.4333 1
Trichomonas vaginalis ssf, putative 0.0053 0.4333 0.5
Leishmania major peter pan protein, putative 0.0053 0.4333 0.5
Giardia lamblia Peter pan protein 0.0053 0.4333 0.5
Trypanosoma brucei RNA helicase, putative 0.0077 1 1
Schistosoma mansoni peter pan-related 0.0053 0.4333 0.4333
Echinococcus multilocularis zinc finger protein 598 0.0053 0.4255 0.982
Plasmodium falciparum BRIX domain, putative 0.0053 0.4333 0.5
Loa Loa (eye worm) brix domain-containing protein 0.0053 0.4333 1
Trypanosoma cruzi peter pan protein, putative 0.0053 0.4333 0.5
Onchocerca volvulus Peter pan protein homolog 0.0053 0.4333 1
Plasmodium vivax hypothetical protein, conserved 0.0053 0.4333 0.5
Echinococcus granulosus zinc finger protein 598 0.0053 0.4255 0.982

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 1.5 Inhibition of human aromatase in placental microsomes relative to aminogluthetimide ChEMBL. 18042388
Activity (binding) = 1.5 Inhibition of human aromatase in placental microsomes relative to aminogluthetimide ChEMBL. 18042388
IC50 (binding) = 3.4 uM Inhibition of human aromatase in placental microsomes ChEMBL. 18042388
IC50 (binding) = 3.4 uM Inhibition of human aromatase in placental microsomes ChEMBL. 18042388

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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