Detailed information for compound 1470604

Basic information

Technical information
  • TDR Targets ID: 1470604
  • Name: 2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]-2 -methoxyphenoxy]-1-piperidin-1-ylethanone
  • MW: 400.486 | Formula: C23H29FN2O3
  • H donors: 1 H acceptors: 1 LogP: 3.66 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CNCCc2ccccc2F)ccc1OCC(=O)N1CCCCC1
  • InChi: 1S/C23H29FN2O3/c1-28-22-15-18(16-25-12-11-19-7-3-4-8-20(19)24)9-10-21(22)29-17-23(27)26-13-5-2-6-14-26/h3-4,7-10,15,25H,2,5-6,11-14,16-17H2,1H3
  • InChiKey: WJARNXKZWMYCDQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]-2-methoxy-phenoxy]-1-(1-piperidyl)ethanone
  • 2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]-1-(1-piperidyl)ethanone
  • 2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]-2-methoxy-phenoxy]-1-piperidino-ethanone
  • 2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]-2-methoxy-phenoxy]-1-piperidin-1-yl-ethanone
  • AP-970/42836668

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
Echinococcus granulosus Protein patched homolog 1 0.0042 0.2391 0.2391
Echinococcus granulosus dual specificity mitogen activated protein 0.0074 0.4899 0.4899
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.31 0.31
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.2391 0.2391
Echinococcus multilocularis Niemann Pick C1 protein 0.0139 1 1
Echinococcus granulosus GPCR family 2 0.0016 0.0345 0.0345
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.31 0.5791
Loa Loa (eye worm) hypothetical protein 0.0049 0.2979 0.3289
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.31 0.5791
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0624 0.0348
Schistosoma mansoni hypothetical protein 0.004 0.2274 0.3318
Echinococcus multilocularis GPCR, family 2 0.0016 0.0345 0.0345
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.0624 0.5
Trichomonas vaginalis STE family protein kinase 0.0074 0.4899 1
Trypanosoma brucei protein kinase, putative 0.0051 0.31 0.5791
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.31 0.5791
Schistosoma mansoni hypothetical protein 0.004 0.2274 0.3318
Schistosoma mansoni hypothetical protein 0.004 0.2274 0.3318
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.1074 0.5
Echinococcus multilocularis protein dispatched 1 0.0048 0.2853 0.2853
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0345 0.0345
Loa Loa (eye worm) hypothetical protein 0.0097 0.6735 0.798
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.31 0.2825
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.6735 0.798
Brugia malayi MH2 domain containing protein 0.0118 0.8353 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.3126 0.3473
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.31 0.5791
Schistosoma mansoni hypothetical protein 0.0016 0.0345 0.0504
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.31 1
Schistosoma mansoni hypothetical protein 0.0034 0.176 0.2568
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.31 0.2825
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0345 0.0345
Leishmania major hypothetical protein, conserved 0.0025 0.1074 0.1054
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.31 0.344
Loa Loa (eye worm) hypothetical protein 0.0034 0.176 0.1767
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.1074 0.1054
Schistosoma mansoni hypothetical protein 0.0016 0.0345 0.0504
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.1074 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.1074 0.1054
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.1074 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.6735 0.6735
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.8353 1
Brugia malayi MAP kinase sur-1 0.0051 0.31 0.344
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.2391 0.2391
Loa Loa (eye worm) hypothetical protein 0.0025 0.1074 0.091
Schistosoma mansoni patched 1 0.0042 0.2391 0.349
Loa Loa (eye worm) STE/STE7/MEK1 protein kinase 0.0074 0.4899 0.5687
Brugia malayi Dual specificity mitogen-activated protein kinase kinase mek-2 0.0074 0.4899 0.5687
Trypanosoma brucei mitogen-activated protein kinase kinase 5 0.0074 0.4899 1
Schistosoma mansoni hypothetical protein 0.0016 0.0345 0.0504
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.31 0.5791
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.31 0.5791
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2979 0.3289
Echinococcus multilocularis protein patched 0.0042 0.2391 0.2391
Brugia malayi Cytochrome P450 family protein 0.0048 0.2896 0.3185
Schistosoma mansoni hypothetical protein 0.004 0.2274 0.3318
Brugia malayi Cytochrome P450 family protein 0.0019 0.0624 0.0348
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0624 0.0348
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.31 0.31
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0624 0.0348
Leishmania major mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860 0.0074 0.4899 1
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.31 0.4524
Trichomonas vaginalis STE family protein kinase 0.0074 0.4899 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.6853 1
Echinococcus granulosus expressed conserved protein 0.0091 0.6273 0.6273
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.31 0.31
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.31 0.2825
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0345 0.0345
Brugia malayi Cytochrome P450 family protein 0.0019 0.0624 0.0348
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.31 0.31
Schistosoma mansoni protein kinase 0.0074 0.4899 0.7149
Trichomonas vaginalis STE family protein kinase 0.0074 0.4899 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2979 0.3289
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.176 0.1767
Brugia malayi hypothetical protein 0.0016 0.0384 0.0048
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.6735 0.6735
Brugia malayi hypothetical protein 0.0025 0.1074 0.091
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0345 0.0345
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2979 0.3289
Schistosoma mansoni hypothetical protein 0.0016 0.0345 0.0504
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.2896 0.3185
Loa Loa (eye worm) hypothetical protein 0.0042 0.2391 0.2555
Giardia lamblia Kinase, STE STE20 0.0074 0.4899 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.8353 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.2391 0.2555
Echinococcus multilocularis dual specificity mitogen activated protein 0.0074 0.4899 0.4899
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.6735 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.1074 0.1054
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.31 0.2825
Echinococcus multilocularis expressed conserved protein 0.0091 0.6273 0.6273
Trypanosoma cruzi mitogen-activated protein kinase kinase 5 0.0074 0.4899 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.31 0.5791
Brugia malayi CHE-14 protein 0.0042 0.2391 0.2555

Activities

No activities found for this compound.

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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