Detailed information for compound 1309330

Basic information

Technical information
  • TDR Targets ID: 1309330
  • Name: 4-[(E)-4-methoxybut-3-en-1-ynyl]-1-methylpipe ridin-4-ol
  • MW: 195.258 | Formula: C11H17NO2
  • H donors: 1 H acceptors: 1 LogP: 0.58 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/C=C/C#CC1(O)CCN(CC1)C
  • InChi: 1S/C11H17NO2/c1-12-8-6-11(13,7-9-12)5-3-4-10-14-2/h4,10,13H,6-9H2,1-2H3/b10-4+
  • InChiKey: IZDLWDMGIRBDIA-ONNFQVAWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-methoxybut-3-en-1-ynyl)-1-methylpiperidin-4-ol
  • 4-(4-methoxybut-3-en-1-ynyl)-1-methyl-piperidin-4-ol
  • 4-[(E)-4-methoxybut-3-en-1-ynyl]-1-methyl-piperidin-4-ol
  • 4-[(E)-4-methoxybut-3-en-1-ynyl]-1-methyl-4-piperidinol
  • 4-(4-methoxybut-3-en-1-ynyl)-1-methyl-4-piperidinol
  • MLS000038115
  • SMR000039612
  • STOCK1S-61826

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.6434 0.5758
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.6434 0.847
Brugia malayi hypothetical protein 0.003 0.1593 0.1593
Trypanosoma brucei protein kinase, putative 0.0062 0.6434 0.847
Brugia malayi Sema domain containing protein 0.003 0.1593 0.1593
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1646 0.5
Trypanosoma brucei eukaryotic translation initiation factor 2-alpha kinase 2 0.0068 0.7299 1
Trypanosoma cruzi Eukaryotic translation initiation factor 2-alpha kinase 2 0.0068 0.7299 1
Echinococcus multilocularis plexin a4 0.0085 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.6434 1
Loa Loa (eye worm) plexin A 0.0085 1 1
Onchocerca volvulus 0.0072 0.7989 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.3398 0.2147
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.6434 0.5758
Trichomonas vaginalis AGC family protein kinase 0.0068 0.7299 1
Plasmodium vivax serine/threonine protein kinase, putative 0.0068 0.7299 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.6434 0.847
Trichomonas vaginalis STE family protein kinase 0.0068 0.7299 1
Brugia malayi hypothetical protein 0.003 0.1593 0.1593
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.6434 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.1646 0.0063
Schistosoma mansoni hypothetical protein 0.0042 0.3398 0.2822
Loa Loa (eye worm) hypothetical protein 0.0072 0.7989 0.7608
Brugia malayi hypothetical protein 0.003 0.1646 0.1646
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.6434 0.5758
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1646 0.5
Schistosoma mansoni plexin 0.0042 0.3398 0.2822
Echinococcus granulosus plexin a4 0.0085 1 1
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.6434 0.5758
Brugia malayi Sema domain containing protein 0.003 0.1593 0.1593
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.6434 0.847
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.6434 0.5758
Leishmania major protein kinase, putative,eukaryotic translation initiation factor 2-alpha kinase precursor, putative 0.0068 0.7299 1
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.6434 0.7569
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.6434 0.847
Trypanosoma cruzi Eukaryotic translation initiation factor 2-alpha kinase 2 0.0068 0.7299 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.6434 0.847
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.6434 0.847
Brugia malayi MAP kinase sur-1 0.0062 0.6434 0.6434
Trypanosoma cruzi Eukaryotic translation initiation factor 2-alpha kinase 2 0.0067 0.7169 0.9769
Schistosoma mansoni plexin 0.0072 0.7989 1
Brugia malayi Plexin repeat family protein 0.0072 0.7989 0.7989
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.6434 0.847

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.5012 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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