Detailed information for compound 505279

Basic information

Technical information
  • TDR Targets ID: 505279
  • Name: 7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphe nyl)chromen-4-one
  • MW: 320.244 | Formula: C16H10F2O5
  • H donors: 2 H acceptors: 3 LogP: 3.94 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(Oc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)O)F
  • InChi: 1S/C16H10F2O5/c17-16(18)23-10-5-12(20)14-13(6-10)22-7-11(15(14)21)8-1-3-9(19)4-2-8/h1-7,16,19-20H
  • InChiKey: XCFDFMSJNAXIGP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one
  • 7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromone

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 hypothetical protein 0.0077 0.2865 0.2865
Entamoeba histolytica hypothetical protein 0.0077 0.2865 0.5
Plasmodium falciparum metacaspase-like protein 0.0043 0.0224 0.5
Schistosoma mansoni tar DNA-binding protein 0.0075 0.268 0.268
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.2865 0.2865
Trypanosoma brucei metacaspase MCA3 0.0043 0.0224 0.5
Schistosoma mansoni hypothetical protein 0.0171 1 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0224 0.5
Loa Loa (eye worm) RNA binding protein 0.0075 0.268 0.3299
Schistosoma mansoni caspase-7 (C14 family) 0.0113 0.5599 0.5599
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0224 0.5
Entamoeba histolytica hypothetical protein 0.0077 0.2865 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.1089 0.1089
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0224 0.5
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0113 0.5599 0.5599
Echinococcus granulosus caspase 3 0.007 0.233 0.233
Echinococcus granulosus caspase 2 0.0083 0.3269 0.3269
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.2865 0.2865
Echinococcus granulosus tar DNA binding protein 0.0075 0.268 0.268
Echinococcus multilocularis tar DNA binding protein 0.0075 0.268 0.268
Trypanosoma cruzi metacaspase 5, putative 0.0043 0.0224 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.2865 0.2865
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0224 0.5
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0043 0.0224 0.0224
Trypanosoma cruzi metacaspase, putative 0.0043 0.0224 0.5
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0043 0.0224 0.0276
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.1089 0.1089
Brugia malayi TAR-binding protein 0.0075 0.268 0.3299
Entamoeba histolytica hypothetical protein 0.0077 0.2865 0.5
Echinococcus multilocularis caspase 0.0113 0.5599 0.5599
Onchocerca volvulus Cell death protein 3 homolog 0.0083 0.3269 0.4025
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.1089 0.1341
Loa Loa (eye worm) TAR-binding protein 0.0075 0.268 0.3299
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0224 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0224 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0224 0.5
Trypanosoma cruzi metacaspase, putative 0.0043 0.0224 0.5
Echinococcus multilocularis geminin 0.0171 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0224 0.5
Onchocerca volvulus 0.0146 0.8123 1
Schistosoma mansoni hypothetical protein 0.0171 1 1
Brugia malayi Cell death protein 3 precursor 0.0083 0.3269 0.4025
Schistosoma mansoni tar DNA-binding protein 0.0075 0.268 0.268
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.1089 0.1089
Leishmania major metacaspase, putative 0.0043 0.0224 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0075 0.268 0.3299
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0224 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0224 0.5
Trypanosoma cruzi metacaspase 5, putative 0.0043 0.0224 0.5
Schistosoma mansoni caspase-7 (C14 family) 0.0083 0.3269 0.3269
Brugia malayi hypothetical protein 0.0077 0.2865 0.3528
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.1089 0.1089
Trypanosoma cruzi metacaspase, putative 0.0043 0.0224 0.5
Plasmodium falciparum metacaspase 1 0.0043 0.0224 0.5
Echinococcus multilocularis caspase 3 0.007 0.233 0.233
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0043 0.0224 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.1089 0.1341
Brugia malayi hypothetical protein 0.0146 0.8123 1
Echinococcus granulosus caspase 8 0.0043 0.0224 0.0224
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0224 0.5
Trypanosoma brucei Metacaspase-4 0.0043 0.0224 0.5
Schistosoma mansoni tar DNA-binding protein 0.0075 0.268 0.268
Echinococcus granulosus caspase 0.0113 0.5599 0.5599
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.1089 0.1089
Echinococcus multilocularis caspase 8 0.0043 0.0224 0.0224
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0224 0.5
Loa Loa (eye worm) hypothetical protein 0.0083 0.3269 0.4025
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.1089 0.1089
Schistosoma mansoni tar DNA-binding protein 0.0075 0.268 0.268
Schistosoma mansoni caspase-3 (C14 family) 0.0113 0.5599 0.5599
Trypanosoma brucei metacaspase MCA2 0.0043 0.0224 0.5
Brugia malayi RNA binding protein 0.0075 0.268 0.3299
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.1089 0.1089
Trypanosoma brucei metacaspase 0.0043 0.0224 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0224 0.0276
Trypanosoma brucei metacaspase 5, putative 0.0043 0.0224 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0075 0.268 0.3299
Plasmodium vivax metacaspase 1, putative 0.0043 0.0224 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0224 0.5
Schistosoma mansoni tar DNA-binding protein 0.0075 0.268 0.268
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0224 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0224 0.5
Entamoeba histolytica hypothetical protein 0.0077 0.2865 0.5
Echinococcus multilocularis caspase 2 0.0083 0.3269 0.3269
Loa Loa (eye worm) hypothetical protein 0.0146 0.8123 1
Trypanosoma cruzi metacaspase, putative 0.0043 0.0224 0.5
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0043 0.0224 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0224 0.5
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0043 0.0224 0.5
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0113 0.5599 0.5599

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Reversal of hydrogen peroxide-induced LDH activity in human HUVE12 cells ChEMBL. 18068980
GI (functional) = 4.59 uM Growth inhibition of Homo sapiens (human) SGC7901 cells by MTT assay ChEMBL. No reference

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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