Detailed information for compound 1428876

Basic information

Technical information
  • TDR Targets ID: 1428876
  • Name: [4-[(4-methoxyphenyl)methyl]-1-[(E)-3-(2-meth oxyphenyl)prop-2-enyl]piperidin-4-yl]methanol
  • MW: 381.508 | Formula: C24H31NO3
  • H donors: 1 H acceptors: 1 LogP: 4.22 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CC1(CO)CCN(CC1)C/C=C/c1ccccc1OC
  • InChi: 1S/C24H31NO3/c1-27-22-11-9-20(10-12-22)18-24(19-26)13-16-25(17-14-24)15-5-7-21-6-3-4-8-23(21)28-2/h3-12,26H,13-19H2,1-2H3/b7-5+
  • InChiKey: CYEBOUSSSWEXHJ-FNORWQNLSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [4-[(4-methoxyphenyl)methyl]-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-piperidyl]methanol
  • [4-[(4-methoxyphenyl)methyl]-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-piperidinyl]methanol
  • [4-(4-methoxybenzyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-piperidyl]methanol
  • MLS000733237
  • SMR000317831
  • {4-(4-methoxybenzyl)-1-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]piperidin-4-yl}methanol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0033 0.0526 0.0036
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0041 0.1176 0.0719
Echinococcus granulosus transmembrane protease serine 3 0.0033 0.0526 0.0036
Brugia malayi Kringle domain containing protein 0.0153 1 1
Schistosoma mansoni hypothetical protein 0.0099 0.577 0.5551
Brugia malayi Trypsin family protein 0.0033 0.0526 0.0526
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2674 0.2674
Mycobacterium ulcerans hypothetical protein 0.0033 0.0526 0.5
Onchocerca volvulus 0.0033 0.0526 0.0036
Brugia malayi Trypsin family protein 0.0033 0.0526 0.0526
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0033 0.0526 0.0526
Loa Loa (eye worm) hypothetical protein 0.006 0.2674 0.2674
Brugia malayi Trypsin family protein 0.0033 0.0526 0.0526
Echinococcus multilocularis glycoprotein Antigen 5 0.0033 0.0526 0.0036
Schistosoma mansoni hypothetical protein 0.0033 0.0526 0.0036
Onchocerca volvulus 0.0099 0.577 0.5551
Loa Loa (eye worm) hypothetical protein 0.0033 0.0492 0.0492
Echinococcus multilocularis tissue type plasminogen activator 0.0153 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0033 0.0526 0.0036
Brugia malayi hypothetical protein 0.0033 0.0526 0.0526
Loa Loa (eye worm) DOMON domain-containing protein 0.0099 0.577 0.577
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0033 0.0526 0.0036
Schistosoma mansoni cercarial elastase (S01 family) 0.0033 0.0526 0.0036
Loa Loa (eye worm) hypothetical protein 0.0032 0.0445 0.0445
Onchocerca volvulus 0.0099 0.577 0.5551
Trypanosoma cruzi hypothetical protein, conserved 0.0153 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0526 0.0526
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0033 0.0526 0.0036
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0492 0.0492
Loa Loa (eye worm) hypothetical protein 0.0041 0.117 0.117
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0492 0.0492
Schistosoma mansoni cercarial elastase (S01 family) 0.0033 0.0526 0.0036
Echinococcus granulosus Mastin 0.0033 0.0526 0.0036
Schistosoma mansoni hypothetical protein 0.0041 0.117 0.0713
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0153 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0526 0.0526
Onchocerca volvulus 0.0033 0.0526 0.0036
Onchocerca volvulus 0.0033 0.0526 0.0036
Brugia malayi intermediate filament protein 0.0033 0.0492 0.0492
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.117 0.117
Schistosoma mansoni cercarial elastase (S01 family) 0.0033 0.0526 0.0036
Onchocerca volvulus 0.0099 0.577 0.5551
Loa Loa (eye worm) hypothetical protein 0.0033 0.0526 0.0526
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0033 0.0526 0.0036
Echinococcus granulosus glycoprotein Antigen 5 0.0033 0.0526 0.0036
Plasmodium falciparum cysteine repeat modular protein 1 0.0153 1 0.5
Onchocerca volvulus 0.0033 0.0526 0.0036
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0033 0.0526 0.0036
Loa Loa (eye worm) hypothetical protein 0.0153 1 1
Brugia malayi Trypsin family protein 0.0033 0.0526 0.0526
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0033 0.0526 0.0036
Onchocerca volvulus 0.0033 0.0526 0.0036
Echinococcus granulosus enteropeptidase 0.0033 0.0526 0.0036
Leishmania major hypothetical protein, conserved 0.0153 1 0.5
Echinococcus multilocularis Mastin 0.0033 0.0526 0.0036
Onchocerca volvulus 0.0153 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0033 0.0526 0.0036
Schistosoma mansoni cercarial elastase (S01 family) 0.0033 0.0526 0.0036
Echinococcus multilocularis transmembrane protease serine 3 0.0033 0.0526 0.0036
Loa Loa (eye worm) trypsin family protein 0.0033 0.0526 0.0526
Toxoplasma gondii kringle domain-containing protein 0.0153 1 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0033 0.0526 0.0036
Loa Loa (eye worm) TK/ROR protein kinase 0.0153 1 1
Brugia malayi Muscle positioning protein 4 0.0099 0.577 0.577
Schistosoma mansoni hypothetical protein 0.0153 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0033 0.0526 0.0036
Schistosoma mansoni hypothetical protein 0.0033 0.0526 0.0036
Loa Loa (eye worm) hypothetical protein 0.0033 0.0526 0.0526
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2674 0.2674
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0492 0.0492
Echinococcus multilocularis enteropeptidase 0.0033 0.0526 0.0036
Schistosoma mansoni cercarial elastase (S01 family) 0.0033 0.0526 0.0036
Schistosoma mansoni cercarial elastase (S01 family) 0.0033 0.0526 0.0036
Onchocerca volvulus 0.0099 0.577 0.5551
Onchocerca volvulus 0.0099 0.577 0.5551
Loa Loa (eye worm) hypothetical protein 0.0099 0.577 0.577
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0033 0.0526 0.0036
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0033 0.0526 0.0036
Loa Loa (eye worm) hypothetical protein 0.0033 0.0526 0.0526
Loa Loa (eye worm) hypothetical protein 0.0099 0.577 0.577
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2674 0.2674
Brugia malayi Trypsin-like protease protein 5 0.0033 0.0526 0.0526
Brugia malayi SEA domain containing protein 0.0099 0.577 0.577
Onchocerca volvulus 0.0033 0.0526 0.0036
Echinococcus granulosus tissue type plasminogen activator 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0526 0.0526
Schistosoma mansoni cercarial elastase (S01 family) 0.0033 0.0526 0.0036
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0033 0.0526 0.0036
Schistosoma mansoni cercarial elastase (S01 family) 0.0033 0.0526 0.0036
Loa Loa (eye worm) hypothetical protein 0.0033 0.0526 0.0526
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0059 0.2605 0.2223

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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