Detailed information for compound 216040

Basic information

Technical information
  • TDR Targets ID: 216040
  • Name: (E)-3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phe nyl]prop-2-enoic acid
  • MW: 406.472 | Formula: C28H22O3
  • H donors: 1 H acceptors: 2 LogP: 6.59 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)/C=C/c1ccccc1c1cccc(c1)c1ccccc1OCc1ccccc1
  • InChi: 1S/C28H22O3/c29-28(30)18-17-22-11-4-5-14-25(22)23-12-8-13-24(19-23)26-15-6-7-16-27(26)31-20-21-9-2-1-3-10-21/h1-19H,20H2,(H,29,30)/b18-17+
  • InChiKey: GRUALMGQQAUCDN-ISLYRVAYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-3-[2-[3-(2-benzyloxyphenyl)phenyl]phenyl]prop-2-enoic acid
  • (E)-3-[2-[3-(2-benzyloxyphenyl)phenyl]phenyl]-2-propenoic acid
  • (E)-3-[2-[3-(2-benzoxyphenyl)phenyl]phenyl]acrylic acid
  • (E)-3-[2-[3-[2-(phenylmethoxy)phenyl]phenyl]phenyl]prop-2-enoic acid
  • (E)-3-[2-[3-[2-(benzyloxy)phenyl]phenyl]phenyl]acrylic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens prostaglandin E receptor 2 (subtype EP2), 53kDa Starlite/ChEMBL References
Homo sapiens prostaglandin E receptor 4 (subtype EP4) Starlite/ChEMBL References
Homo sapiens prostaglandin E receptor 3 (subtype EP3) 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.1116 1 0.5
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0234 0 0.5
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0234 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0306 0.0819 0.6338
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0234 0 0.5
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0234 0 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0348 0.1293 1
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0234 0 0.5
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0234 0 0.5
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0234 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0348 0.1293 1
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0234 0 0.5
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0234 0 0.5
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0234 0 0.5
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.1116 1 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0348 0.1293 1
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0234 0 0.5
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0234 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0348 0.1293 1
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.1116 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.084 uM Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line. ChEMBL. 14552786
Ki (binding) = 0.084 uM Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line. ChEMBL. 14552786
Ki (binding) = 0.83 uM Affinity at human Prostanoid EP2 receptor in the human embryonic kidney (HEK) 293 cell line. ChEMBL. 14552786
Ki (binding) = 0.83 uM Affinity at human Prostanoid EP2 receptor in the human embryonic kidney (HEK) 293 cell line. ChEMBL. 14552786
Ki (binding) = 1.7 uM Affinity at human Prostanoid EP4 receptor in the human embryonic kidney (HEK) 293 cell line. ChEMBL. 14552786
Ki (binding) = 1.7 uM Affinity at human Prostanoid EP4 receptor in the human embryonic kidney (HEK) 293 cell line. ChEMBL. 14552786
Ki (binding) = 72 uM Affinity at human Prostanoid EP1 receptor in the human embryonic kidney (HEK) 293 cell line. ChEMBL. 14552786
Ki (binding) = 72 uM Affinity at human Prostanoid EP1 receptor in the human embryonic kidney (HEK) 293 cell line. ChEMBL. 14552786

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.