Detailed information for compound 1076407

Basic information

Technical information
  • TDR Targets ID: 1076407
  • Name: (E)-1-(2,4-dihydroxyphenyl)-3-(2-methoxypheny l)prop-2-en-1-one
  • MW: 270.28 | Formula: C16H14O4
  • H donors: 2 H acceptors: 3 LogP: 3.5 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1/C=C/C(=O)c1ccc(cc1O)O
  • InChi: 1S/C16H14O4/c1-20-16-5-3-2-4-11(16)6-9-14(18)13-8-7-12(17)10-15(13)19/h2-10,17,19H,1H3/b9-6+
  • InChiKey: ODLVGCCGMXGMGZ-RMKNXTFCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(2,4-dihydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
  • 108051-21-4
  • ST5308953
  • 1-(2,4-Dihydroxyphenyl)-3-(2-methoxyphenyl)-2-propen-1-one
  • 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(2-methoxyphenyl)-
  • 3-08-00-03711 (Beilstein Handbook Reference)
  • Acrylophenone, 2',4'-dihydroxy-3-(o-methoxyphenyl)-
  • BRN 3145187

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 alpha-glucosidase 0.0154 0.4197 0.4426
Trypanosoma brucei glucosidase, putative 0.004 0.0151 0.0068
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.045 0.0474
Trichomonas vaginalis sucrase-isomaltase, putative 0.004 0.0151 0.5
Schistosoma mansoni alpha-glucosidase 0.0154 0.4197 0.4426
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0328 0.0247
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.045 0.0886
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.045 0.039
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0151 0.4072 0.4022
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0151 0.5
Schistosoma mansoni alpha glucosidase 0.004 0.0151 0.0159
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0179 0.5079 0.5316
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.004 0.0151 0.0072
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.3194 0.331
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0151 1
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0151 0.5
Echinococcus multilocularis neutral alpha glucosidase AB 0.004 0.0151 0.0159
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.045 0.0474
Brugia malayi RNA, U transporter 1 0.0081 0.1605 0.316
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.045 0.0474
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.045 0.0474
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.4072 0.4022
Schistosoma mansoni hypothetical protein 0.0304 0.9481 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.045 0.0474
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.045 0.0474
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0151 0.5
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0328 0.0247
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0055 0.0674 0.0596
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0151 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0179 0.5079 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0151 0.0068
Brugia malayi Cytochrome P450 family protein 0.0038 0.0083 0.0164
Echinococcus granulosus neutral alpha glucosidase AB 0.004 0.0151 0.0159
Echinococcus multilocularis snurportin 1 0.0304 0.9481 1
Toxoplasma gondii hypothetical protein 0.0051 0.056 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.004 0.0151 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.045 0.0474
Echinococcus granulosus lysosomal alpha glucosidase 0.0179 0.5079 0.5357
Brugia malayi Cytochrome P450 family protein 0.0038 0.0083 0.0164
Echinococcus granulosus snurportin 1 0.0304 0.9481 1
Brugia malayi MH2 domain containing protein 0.0126 0.3194 0.6289
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 0.9481 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0179 0.5079 0.5357
Leishmania major alpha glucosidase II subunit, putative 0.004 0.0151 0.0068
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0151 1
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0151 0.5
Mycobacterium ulcerans hypothetical protein 0.0168 0.4673 1
Brugia malayi Cytochrome P450 family protein 0.0039 0.0127 0.025
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0151 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.3194 0.331
Onchocerca volvulus 0.0104 0.2408 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0151 0.0068
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0328 0.0247
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0151 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0168 0.4673 0.5
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.4072 0.4022
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0328 0.0247
Echinococcus multilocularis lysosomal alpha glucosidase 0.0179 0.5079 0.5357
Loa Loa (eye worm) cytochrome P450 family protein 0.0039 0.0127 0.0047
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.0151 0.0297

Activities

Activity type Activity value Assay description Source Reference
FC (functional) = 1.1 Agonist activity at human PPARgamma expressed in HEK293 cells co-transfected with PPRE assessed as beta-galactosidase signal at 5 uM after 48 hrs by reporter gene assay relative to control ChEMBL. 19807106
FC (functional) = 1.1 Agonist activity at human PPARgamma expressed in HEK293 cells co-transfected with PPRE assessed as beta-galactosidase signal at 25 uM after 48 hrs by reporter gene assay relative to control ChEMBL. 19807106

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.