Detailed information for compound 1387589

Basic information

Technical information
  • TDR Targets ID: 1387589
  • Name: N-(3-methoxyphenyl)-4-piperidin-1-ylpiperidin e-1-carboxamide
  • MW: 317.426 | Formula: C18H27N3O2
  • H donors: 1 H acceptors: 1 LogP: 2.52 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)N1CCC(CC1)N1CCCCC1
  • InChi: 1S/C18H27N3O2/c1-23-17-7-5-6-15(14-17)19-18(22)21-12-8-16(9-13-21)20-10-3-2-4-11-20/h5-7,14,16H,2-4,8-13H2,1H3,(H,19,22)
  • InChiKey: VTXLBIIKVPCGBY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-methoxyphenyl)-4-(1-piperidyl)piperidine-1-carboxamide
  • N-(3-methoxyphenyl)-4-(1-piperidyl)-1-piperidinecarboxamide
  • N-(3-methoxyphenyl)-4-piperidino-piperidine-1-carboxamide
  • N-(3-methoxyphenyl)-4-piperidin-1-yl-piperidine-1-carboxamide
  • MLS000094240
  • N-(3-methoxyphenyl)-1,4'-bipiperidine-1'-carboxamide
  • SMR000029830

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
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
Plasmodium falciparum flap endonuclease 1 0.0026 0.0204 1
Schistosoma mansoni tyrosinase precursor 0.0507 1 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0538 0.0932
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0507 1 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0507 1 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0204 0.0352
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0507 1 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0066 0.1016 0.176
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0687 0.0687
Onchocerca volvulus 0.0507 1 0.5
Onchocerca volvulus 0.0507 1 0.5
Brugia malayi Flap endonuclease-1 0.0026 0.0204 0.0204
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0066 0.1016 0.5
Entamoeba histolytica phosphofructokinase, putative 0.0066 0.1016 1
Brugia malayi Common central domain of tyrosinase family protein 0.0507 1 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0066 0.1016 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0507 1 1
Entamoeba histolytica phosphofructokinase, putative 0.0066 0.1016 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.2566 0.4442
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0018 0.0042 0.2058
Leishmania major ATP-dependent phosphofructokinase 0.0066 0.1016 0.176
Loa Loa (eye worm) hypothetical protein 0.0034 0.0369 0.0369
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0204 0.1659
Schistosoma mansoni 6-phosphofructokinase 0.0066 0.1016 0.1016
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0726 0.1256
Toxoplasma gondii phosphofructokinase PFKII 0.0018 0.0042 0.0631
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0204 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.5776 1
Echinococcus granulosus 6 phosphofructokinase 0.0066 0.1016 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.5776 1
Toxoplasma gondii 6-phosphofructokinase 0.0018 0.0042 0.0631
Trichomonas vaginalis phosphofructokinase, putative 0.0066 0.1016 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0507 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0687 0.0687
Loa Loa (eye worm) hypothetical protein 0.0049 0.0687 0.0687
Leishmania major mitochondrial DNA polymerase beta 0.03 0.5776 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.2566 0.4442
Schistosoma mansoni tyrosinase precursor 0.0507 1 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0204 0.0352
Toxoplasma gondii hypothetical protein 0.0048 0.0664 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0066 0.1016 0.3515
Schistosoma mansoni 6-phosphofructokinase 0.0066 0.1016 0.1016
Plasmodium vivax 6-phosphofructokinase, putative 0.0018 0.0042 0.2058
Loa Loa (eye worm) ShTK domain-containing protein 0.0507 1 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0018 0.0042 0.5
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0204 0.2003
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0369 0.0369
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0538 0.0932
Loa Loa (eye worm) phosphofructokinase 0.0066 0.1016 0.1016
Echinococcus granulosus flap endonuclease 1 0.0026 0.0204 0.2003
Loa Loa (eye worm) hypothetical protein 0.0507 1 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.2566 0.4442
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0204 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0066 0.1016 0.1016
Loa Loa (eye worm) hypothetical protein 0.0507 1 1
Brugia malayi 6-phosphofructokinase 0.0066 0.1016 0.1016
Trypanosoma brucei mitochondrial DNA polymerase beta 0.03 0.5776 1
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0204 0.0204
Echinococcus multilocularis 6 phosphofructokinase 0.0066 0.1016 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0687 0.0687
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0204 0.1659
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0018 0.0042 0.0631
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.2892 1
Brugia malayi phosphofructokinase 0.0066 0.1016 0.1016
Mycobacterium ulcerans hypothetical protein 0.0158 0.2892 1
Trichomonas vaginalis phosphofructokinase, putative 0.0066 0.1016 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0538 0.0932
Onchocerca volvulus 0.0507 1 0.5
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0066 0.1016 0.176
Trichomonas vaginalis phosphofructokinase, putative 0.0066 0.1016 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0018 0.0042 0.2058
Schistosoma mansoni flap endonuclease-1 0.0023 0.0153 0.0153
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0538 0.0932
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0204 0.3065
Brugia malayi 6-phosphofructokinase 0.0066 0.1016 0.1016
Onchocerca volvulus 0.0507 1 0.5
Loa Loa (eye worm) 6-phosphofructokinase 0.0066 0.1016 0.1016
Trichomonas vaginalis phosphofructokinase, putative 0.0066 0.1016 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0204 0.0352
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0018 0.0042 0.2058
Schistosoma mansoni hypothetical protein 0.0034 0.0369 0.0369
Entamoeba histolytica phosphofructokinase, putative 0.0066 0.1016 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0018 0.0042 0.5
Loa Loa (eye worm) tyrosinase 1 0.0507 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.4921 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] 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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