Detailed information for compound 873384

Basic information

Technical information
  • TDR Targets ID: 873384
  • Name: ethyl 3-[[4-[(4-methylpiperidin-1-yl)methyl]p iperidine-1-carbonyl]amino]benzoate
  • MW: 387.516 | Formula: C22H33N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.39 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cccc(c1)NC(=O)N1CCC(CC1)CN1CCC(CC1)C
  • InChi: 1S/C22H33N3O3/c1-3-28-21(26)19-5-4-6-20(15-19)23-22(27)25-13-9-18(10-14-25)16-24-11-7-17(2)8-12-24/h4-6,15,17-18H,3,7-14,16H2,1-2H3,(H,23,27)
  • InChiKey: ICHGSKAWVRWXAC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 3-[[4-[(4-methyl-1-piperidyl)methyl]piperidine-1-carbonyl]amino]benzoate
  • 3-[[[4-[(4-methyl-1-piperidinyl)methyl]-1-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester
  • 3-[[4-[(4-methyl-1-piperidyl)methyl]piperidine-1-carbonyl]amino]benzoic acid ethyl ester
  • ethyl 3-[[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]carbonylamino]benzoate

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
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0405 0.1992
Brugia malayi follicle stimulating hormone receptor 0.0225 0.5837 1
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0034 0.0087 0.0209
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0045 0.0405 0.0405
Loa Loa (eye worm) hypothetical protein 0.0349 0.9595 0.9595
Echinococcus granulosus protein kinase c epsilon type 0.0079 0.1438 0.3441
Brugia malayi Protein kinase domain containing protein 0.0045 0.0405 0.0694
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0576 0.1377
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0405 0.1992
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0034 0.0087 0.0209
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0405 0.1992
Brugia malayi Protein kinase c protein 2 0.0126 0.2871 0.4919
Echinococcus granulosus serine:threonine protein kinase N2 0.0045 0.0405 0.097
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0405 0.1992
Schistosoma mansoni serine/threonine kinase 0.0045 0.0405 0.097
Echinococcus multilocularis serine:threonine protein kinase N2 0.0045 0.0405 0.097
Loa Loa (eye worm) hypothetical protein 0.0034 0.0087 0.0087
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0042 0.0101
Brugia malayi Protein kinase domain containing protein 0.0045 0.0405 0.0694
Echinococcus multilocularis serine:threonine protein kinase 38 0.0045 0.0405 0.097
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0405 0.097
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0033 0.0042 0.0073
Echinococcus multilocularis serine threonine protein kinase 0.0138 0.3234 0.7738
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0576 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0576 0.1377
Brugia malayi p70 ribosomal S6 kinase beta 0.0045 0.0405 0.0694
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0405 0.1992
Loa Loa (eye worm) AGC/AKT protein kinase 0.0045 0.0405 0.0405
Echinococcus granulosus unc 13 munc13 0.0034 0.0087 0.0209
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0576 0.1377
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0033 0.0042 0.0101
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0576 0.1377
Echinococcus multilocularis Protein kinase C, brain isozyme 0.017 0.4179 1
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0091 0.1796 0.4297
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0079 0.1438 0.1438
Brugia malayi protein kinase C II. 0.0079 0.1438 0.2464
Loa Loa (eye worm) hypothetical protein 0.0318 0.8649 0.8649
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0045 0.0405 0.097
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0576 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0576 0.5
Entamoeba histolytica protein kinase, putative 0.0045 0.0405 1
Schistosoma mansoni serine/threonine protein kinase 0.017 0.4179 1
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0405 0.1992
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0095 0.1926 0.1926
Trypanosoma brucei protein kinase, putative 0.005 0.0576 1
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0045 0.0405 0.097
Schistosoma mansoni protein kinase C 0.0034 0.0087 0.0209
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0576 0.5
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0405 0.1992
Echinococcus multilocularis RNA directed DNA polymerase 0.0091 0.1796 0.4297
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0405 0.097
Echinococcus multilocularis serine:threonine protein kinase N2 0.0045 0.0405 0.097
Echinococcus multilocularis protein kinase c epsilon type 0.0079 0.1438 0.3441
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0033 0.0042 0.0101
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0405 0.1992
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0576 1
Brugia malayi Protein kinase domain containing protein 0.0033 0.0042 0.0073
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0405 0.097
Schistosoma mansoni serine/threonine protein kinase 0.0079 0.1438 0.3441
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0033 0.0042 0.0042
Echinococcus granulosus NDR protein kinase 0.0045 0.0405 0.097
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0045 0.0405 0.0405
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0045 0.0405 0.097
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0576 1
Echinococcus granulosus Protein kinase C brain isozyme 0.017 0.4179 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.2741 0.2741
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0045 0.0405 0.097
Echinococcus multilocularis unc 13 (munc13) 0.0034 0.0087 0.0209
Brugia malayi C1-like domain containing protein 0.0033 0.0042 0.0073
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0045 0.0405 0.097
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0576 0.0576
Echinococcus granulosus RNA directed DNA polymerase 0.0091 0.1796 0.4297
Brugia malayi Hr1 repeat family protein 0.0045 0.0405 0.0694
Schistosoma mansoni serine/threonine protein kinase 0.017 0.4179 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0576 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0045 0.0405 0.0405
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0033 0.0042 0.0042
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0405 0.1992
Loa Loa (eye worm) AGC/PKN protein kinase 0.0045 0.0405 0.0405
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0576 0.5
Toxoplasma gondii AGC kinase 0.0045 0.0405 0.7041
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0225 0.5837 0.5837
Entamoeba histolytica protein kinase, putative 0.0045 0.0405 1
Echinococcus granulosus protein kinase c iota type 0.0076 0.1351 0.3232
Loa Loa (eye worm) AGC/NDR protein kinase 0.0045 0.0405 0.0405
Schistosoma mansoni unc-13 (munc13) 0.0034 0.0087 0.0209
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0045 0.0405 0.097
Loa Loa (eye worm) hypothetical protein 0.0318 0.8649 0.8649
Echinococcus granulosus protein kinase C gamma type 0.0138 0.3234 0.7738
Schistosoma mansoni atypical protein kinase C 0.0076 0.1351 0.3232
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0405 0.097
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0576 1
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0045 0.0405 0.0405
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0576 0.5
Loa Loa (eye worm) hypothetical protein 0.0318 0.8649 0.8649
Brugia malayi Protein kinase domain containing protein 0.0045 0.0405 0.0694
Entamoeba histolytica protein kinase, putative 0.0045 0.0405 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0576 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0576 0.5
Entamoeba histolytica protein kinase, putative 0.0045 0.0405 1
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0042 0.0101
Brugia malayi protein kinase C3,putative 0.0033 0.0042 0.0073
Onchocerca volvulus 0.0034 0.0087 0.0101
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0576 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.1796 0.1796
Schistosoma mansoni unc-13 (munc13) 0.0034 0.0087 0.0209
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0576 0.1377
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0405 0.1992
Echinococcus multilocularis protein kinase c iota type 0.0076 0.1351 0.3232
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0405 0.1992
Brugia malayi MAP kinase sur-1 0.005 0.0576 0.0986
Onchocerca volvulus 0.0318 0.8649 1
Schistosoma mansoni protein kinase C mu 0.0033 0.0042 0.0101

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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