Detailed information for compound 975979

Basic information

Technical information
  • TDR Targets ID: 975979
  • Name: 5-[(1Z)-1-(4-hydroxyphenyl)penta-1,4-dien-3-y l]-2-methoxyphenol
  • MW: 282.334 | Formula: C18H18O3
  • H donors: 2 H acceptors: 2 LogP: 4.35 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CC(c1ccc(c(c1)O)OC)/C=C\c1ccc(cc1)O
  • InChi: 1S/C18H18O3/c1-3-14(7-4-13-5-9-16(19)10-6-13)15-8-11-18(21-2)17(20)12-15/h3-12,14,19-20H,1H2,2H3/b7-4-
  • InChiKey: QGQNWQZNFRNVLW-DAXSKMNVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[(Z)-3-(4-hydroxyphenyl)-1-vinyl-prop-2-enyl]-2-methoxy-phenol
  • 5-[(Z)-3-(4-hydroxyphenyl)-1-vinylprop-2-enyl]-2-methoxyphenol
  • 5-[(1Z)-1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]-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
Loa Loa (eye worm) hypothetical protein 0.0068 0.904 0.904
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.025 0.0277
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.7532 1
Brugia malayi amine oxidase, flavin-containing family protein 0.002 0.096 0.096
Plasmodium vivax hypothetical protein, conserved 0.0014 0 0.5
Echinococcus multilocularis GPCR, family 2 0.0015 0.025 0.0277
Onchocerca volvulus 0.0074 1 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.025 0.025
Trypanosoma cruzi UDP-galactopyranose mutase 0.0014 0 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.025 0.025
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.025 0.0277
Schistosoma mansoni hypothetical protein 0.0033 0.3216 0.3557
Echinococcus granulosus GPCR family 2 0.0015 0.025 0.0277
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.7532 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.3216 0.3216
Plasmodium falciparum protoporphyrinogen oxidase 0.0014 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.3216 0.3216
Loa Loa (eye worm) hypothetical protein 0.0074 1 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0014 0 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.7532 0.8332
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0068 0.904 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0014 0 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.025 0.0277
Schistosoma mansoni hypothetical protein 0.0015 0.025 0.0277
Schistosoma mansoni hypothetical protein 0.0015 0.025 0.0277
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.7532 0.8332
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.025 0.0277
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.5771 0.5771
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0014 0 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.7532 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.025 0.025
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.7532 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.7532 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0068 0.904 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0068 0.904 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.5771 0.5771
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.5771 0.5771
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.7532 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.7532 0.8332
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0068 0.904 0.904
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.7532 0.8332
Schistosoma mansoni hypothetical protein 0.0015 0.025 0.0277
Chlamydia trachomatis protoporphyrinogen oxidase 0.0014 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.096 0.096
Loa Loa (eye worm) hypothetical protein 0.0048 0.5771 0.5771
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0014 0 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.025 0.0277
Brugia malayi Latrophilin receptor protein 2 0.0015 0.025 0.025

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 25.5 uM Cytotoxicity against human Lu1 cells ChEMBL. 14987058
IC50 (functional) = 31.9 uM Cytotoxicity against human KB cells ChEMBL. 14987058
IC50 (functional) = 41.1 uM Cytotoxicity against human LNCAP cells ChEMBL. 14987058
IC50 (functional) = 41.4 uM Cytotoxicity against human Col2 cells ChEMBL. 14987058
IC50 (ADMET) = 58.1 uM Cytotoxicity against HUVEC ChEMBL. 14987058

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.

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