Detailed information for compound 1637650

Basic information

Technical information
  • TDR Targets ID: 1637650
  • Name: 5-[(E)-2-(3-iodo-4,5-dimethoxyphenyl)ethenyl] -2-methoxyphenol
  • MW: 412.219 | Formula: C17H17IO4
  • H donors: 1 H acceptors: 1 LogP: 4.4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(/C=C/c2ccc(c(c2)O)OC)cc(c1OC)I
  • InChi: 1S/C17H17IO4/c1-20-15-7-6-11(9-14(15)19)4-5-12-8-13(18)17(22-3)16(10-12)21-2/h4-10,19H,1-3H3/b5-4+
  • InChiKey: SHUZMTMATJDFEI-SNAWJCMRSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[(E)-2-(3-iodo-4,5-dimethoxy-phenyl)vinyl]-2-methoxy-phenol
  • 5-[(E)-2-(3-iodo-4,5-dimethoxyphenyl)vinyl]-2-methoxyphenol
  • 5-[(E)-2-(3-iodo-4,5-dimethoxy-phenyl)ethenyl]-2-methoxy-phenol

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 dipeptidyl-peptidase I (C01 family) 0.4309 1 1
Echinococcus multilocularis hormone sensitive lipase 0.2862 0.6598 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.2674 0.6158 0.5
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.4309 1 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.2862 0.6598 0.6598
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.4309 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0011 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0011 1
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.4309 1 1
Toxoplasma gondii cathepsin CPC1 0.4309 1 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.4309 1 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.2862 0.6598 0.6598
Loa Loa (eye worm) hypothetical protein 0.0058 0.0011 0.0017
Echinococcus granulosus hormone sensitive lipase 0.2862 0.6598 1
Loa Loa (eye worm) hypothetical protein 0.2862 0.6598 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0011 0.0017
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.2862 0.6598 0.6598
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.4309 1 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.189 ug ml-1 Growth inhibition of mouse P388 cells after 48 hrs by Z1 Beckman/Coulter particle counter analysis ChEMBL. 22324723
GI50 (functional) = 2.7 ug ml-1 Growth inhibition of human BxPC3 cells after 48 hrs by sulforhodamine B assay ChEMBL. 22324723

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

No literature references available for this target.

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