Detailed information for compound 436288

Basic information

Technical information
  • TDR Targets ID: 436288
  • Name: (E)-1-(2-hydroxy-4-phenylmethoxyphenyl)-3-(4- phenylmethoxyphenyl)prop-2-en-1-one
  • MW: 436.498 | Formula: C29H24O4
  • H donors: 1 H acceptors: 2 LogP: 6.82 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1O)OCc1ccccc1)/C=C/c1ccc(cc1)OCc1ccccc1
  • InChi: 1S/C29H24O4/c30-28(27-17-16-26(19-29(27)31)33-21-24-9-5-2-6-10-24)18-13-22-11-14-25(15-12-22)32-20-23-7-3-1-4-8-23/h1-19,31H,20-21H2/b18-13+
  • InChiKey: OXJNAMHGUAYTFA-QGOAFFKASA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-1-(4-benzyloxy-2-hydroxy-phenyl)-3-(4-benzyloxyphenyl)prop-2-en-1-one
  • (E)-1-(4-benzyloxy-2-hydroxyphenyl)-3-(4-benzyloxyphenyl)-2-propen-1-one
  • (E)-1-(2-hydroxy-4-phenylmethoxy-phenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
  • (E)-1-(4-benzoxy-2-hydroxy-phenyl)-3-(4-benzoxyphenyl)prop-2-en-1-one
  • 1-[2-hydroxy-4-(phenylmethoxy)phenyl]-3-[4-(phenylmethoxy)phenyl]prop-2-en-1-one
  • (E)-1-[2-hydroxy-4-(phenylmethoxy)phenyl]-3-[4-(phenylmethoxy)phenyl]prop-2-en-1-one
  • 1-[4-(benzyloxy)-2-hydroxy-phenyl]-3-[4-(benzyloxy)phenyl]prop-2-en-1-one
  • (E)-1-[4-(benzyloxy)-2-hydroxy-phenyl]-3-[4-(benzyloxy)phenyl]prop-2-en-1-one
  • ZINC08438840
  • AQ-358/41842915

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
Onchocerca volvulus 0.0112 0.1483 0.0894
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0666 1 1
Mycobacterium ulcerans glutaminase 0.0267 0.3869 0.5
Schistosoma mansoni zinc finger protein 0.0314 0.459 0.4559
Trichomonas vaginalis glutaminase, putative 0.0267 0.3869 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0352 0.517 0.5142
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0666 1 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0045 0.0454 0.0399
Loa Loa (eye worm) hypothetical protein 0.0314 0.459 0.459
Brugia malayi photoreceptor-specific nuclear receptor 0.0666 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0314 0.459 0.444
Brugia malayi nuclear hormone receptor 0.0314 0.459 0.4559
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0666 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0314 0.459 0.4559
Brugia malayi nuclear receptor NHR-88 0.0314 0.459 0.4559
Schistosoma mansoni retinoic acid receptor RXR 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.459 0.459
Loa Loa (eye worm) hypothetical protein 0.0666 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0314 0.459 0.444
Brugia malayi Nuclear hormone receptor-like 1 0.0666 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0314 0.459 0.459
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0314 0.459 0.444
Schistosoma mansoni nuclear receptor 0.0314 0.459 0.4559
Brugia malayi nuclear hormone receptor 0.0666 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0352 0.517 0.517
Loa Loa (eye worm) hypothetical protein 0.0314 0.459 0.459
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0352 0.517 0.517
Schistosoma mansoni nuclear hormone receptor 0.0666 1 1
Schistosoma mansoni coup transcription factor 0.0666 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0352 0.517 0.5142
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0666 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0314 0.459 0.444
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0314 0.459 0.459
Brugia malayi hypothetical protein 0.0352 0.517 0.5142
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0666 1 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0049 0.0511 0.0247
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.1123 0.0875
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0666 1 1
Brugia malayi hypothetical protein 0.0314 0.459 0.4559
Brugia malayi Nuclear hormone receptor-like 1 0.0352 0.517 0.5142
Schistosoma mansoni hypothetical protein 0.0165 0.2292 0.2248
Echinococcus granulosus Nuclear hormone receptor HR96 0.0314 0.459 0.444
Onchocerca volvulus Protein ultraspiracle homolog 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.459 0.459
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0666 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0666 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0352 0.517 0.5142
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0666 1 1
Echinococcus multilocularis microtubule associated protein 2 0.0327 0.4781 0.4635
Loa Loa (eye worm) nuclear receptor NHR-67 0.0314 0.459 0.459
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0666 1 1
Loa Loa (eye worm) DR-78 0.0314 0.459 0.459
Loa Loa (eye worm) hypothetical protein 0.0314 0.459 0.459
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0314 0.459 0.444
Echinococcus multilocularis geminin 0.0165 0.2292 0.2078
Schistosoma mansoni microtubule-associated protein tau 0.0327 0.4781 0.4751
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0314 0.459 0.444
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0314 0.459 0.4559
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0666 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.1123 0.1072
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0049 0.0511 0.0247
Echinococcus multilocularis nuclear receptor nhr 48 0.0314 0.459 0.444
Onchocerca volvulus 0.0314 0.459 0.4216
Echinococcus granulosus geminin 0.0165 0.2292 0.2078
Loa Loa (eye worm) glutamate receptor 0.004 0.037 0.037
Loa Loa (eye worm) hypothetical protein 0.0314 0.459 0.459
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0352 0.517 0.5035
Schistosoma mansoni nuclear hormone receptor 0.0314 0.459 0.4559
Echinococcus granulosus Nuclear hormone receptor HR96 0.0314 0.459 0.444
Echinococcus granulosus microtubule associated protein 2 0.0327 0.4781 0.4635
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0352 0.517 0.517
Echinococcus multilocularis ecdysone induced protein 78C 0.0666 1 1
Brugia malayi ecdysone receptor 0.0314 0.459 0.4559
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0666 1 1
Schistosoma mansoni thyroid hormone receptor 0.0666 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0666 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0314 0.459 0.4559
Schistosoma mansoni thyroid hormone receptor 0.0666 1 1
Echinococcus granulosus FTZ F1 alpha 0.0666 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.1123 0.1123
Loa Loa (eye worm) hypothetical protein 0.0666 1 1
Brugia malayi hypothetical protein 0.0314 0.459 0.4559
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0666 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0666 1 1
Brugia malayi tailless protein 0.0314 0.459 0.4559
Onchocerca volvulus Bile acid receptor homolog 0.0666 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.459 0.459
Loa Loa (eye worm) hypothetical protein 0.0666 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0666 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0314 0.459 0.444
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0314 0.459 0.4559
Loa Loa (eye worm) hypothetical protein 0.0058 0.0647 0.0647
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0314 0.459 0.4216
Loa Loa (eye worm) hypothetical protein 0.0314 0.459 0.459
Brugia malayi nuclear receptor RXR 0.0352 0.517 0.5142
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0666 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.459 0.459
Schistosoma mansoni nuclear receptor nhr-48 0.0314 0.459 0.4559
Brugia malayi hypothetical protein 0.0352 0.517 0.5142
Loa Loa (eye worm) hypothetical protein 0.0352 0.517 0.517
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0314 0.459 0.444
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0666 1 1
Schistosoma mansoni hypothetical protein 0.0165 0.2292 0.2248
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0666 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0352 0.517 0.5035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.1123 0.1072
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.1123 0.0875
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0666 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0666 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0666 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0314 0.459 0.4216
Brugia malayi glutaminase DH11.1 0.0267 0.3869 0.3833
Schistosoma mansoni nuclear receptor 0.0314 0.459 0.4559
Schistosoma mansoni steroid hormone receptor ad4bp 0.0666 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0314 0.459 0.4559
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0666 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0099 0.1274 0.1274
Loa Loa (eye worm) hypothetical protein 0.0666 1 1
Schistosoma mansoni glutaminase 0.0267 0.3869 0.3833
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.459 0.459
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.1123 0.0875
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0352 0.517 0.517
Loa Loa (eye worm) hypothetical protein 0.0314 0.459 0.459
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0666 1 1
Schistosoma mansoni metabotropic glutamate receptor 0.0033 0.0271 0.0215
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0666 1 1
Brugia malayi conserved hypotetical protein 0.0314 0.459 0.4559
Brugia malayi Nuclear hormone receptor E75 0.0314 0.459 0.4559
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0666 1 1
Onchocerca volvulus 0.0666 1 1
Brugia malayi hypothetical protein 0.0058 0.0647 0.0593
Loa Loa (eye worm) glutaminase 0.0267 0.3869 0.3869
Loa Loa (eye worm) glutaminase 2 0.0267 0.3869 0.3869
Echinococcus multilocularis FTZ F1 alpha 0.0666 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0666 1 1
Brugia malayi steroid hormone receptor 0.0666 1 1
Onchocerca volvulus 0.0314 0.459 0.4216
Brugia malayi nuclear receptor NHR-67 0.0314 0.459 0.4559
Loa Loa (eye worm) hypothetical protein 0.0666 1 1
Brugia malayi Nuclear hormone receptor E75 0.0314 0.459 0.4559
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.1123 0.1072
Schistosoma mansoni RAR-like nuclear receptor 0.0666 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0666 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0314 0.459 0.4559
Loa Loa (eye worm) hypothetical protein 0.0058 0.0647 0.0647
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0666 1 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0036 0.0313 0.0257
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0666 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0666 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.459 0.459
Loa Loa (eye worm) hypothetical protein 0.0352 0.517 0.517
Schistosoma mansoni nuclear hormone receptor 0.0314 0.459 0.4559
Brugia malayi Metabotropic glutamate receptor precursor. 0.004 0.037 0.0315
Echinococcus multilocularis thyroid hormone receptor alpha 0.0666 1 1
Brugia malayi Pre-SET motif family protein 0.0099 0.1274 0.1224
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0511 0.0511
Loa Loa (eye worm) hypothetical protein 0.0666 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.1123 0.1072
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0314 0.459 0.444
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0666 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0666 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0666 1 1
Brugia malayi nuclear receptor RXR 0.0314 0.459 0.4559
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.1123 0.0875
Brugia malayi nuclear receptor NHR-88 0.0666 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.459 0.459

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 92 % Cytotoxicity against human TK10 cells in aerobic condition assessed as survival at 100 uM by sulforhodamine assay ChEMBL. 17383189
Activity (functional) = 92 % Cytotoxicity against human TK10 cells in aerobic condition assessed as survival at 100 uM by sulforhodamine assay ChEMBL. 17383189
Activity (functional) = 100 % Cytotoxicity against human MCF7 cells ATCC HTB38 in aerobic condition assessed as survival at 100 uM by sulforhodamine assay ChEMBL. 17383189
Activity (functional) = 100 % Cytotoxicity against human HT29 cells ATCC HTB38 in aerobic condition assessed as survival at 100 uM by sulforhodamine assay ChEMBL. 17383189
Activity (functional) = 100 % Cytotoxicity against human MCF7 cells ATCC HTB38 in aerobic condition assessed as survival at 100 uM by sulforhodamine assay ChEMBL. 17383189
Activity (functional) = 100 % Cytotoxicity against human HT29 cells ATCC HTB38 in aerobic condition assessed as survival at 100 uM by sulforhodamine assay ChEMBL. 17383189

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.