Detailed information for compound 805616

Basic information

Technical information
  • TDR Targets ID: 805616
  • Name: methyl 4-(4-methylpiperidin-1-yl)-3-nitrobenz oate
  • MW: 278.304 | Formula: C14H18N2O4
  • H donors: 0 H acceptors: 3 LogP: 3.01 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCC(CC1)C
  • InChi: 1S/C14H18N2O4/c1-10-5-7-15(8-6-10)12-4-3-11(14(17)20-2)9-13(12)16(18)19/h3-4,9-10H,5-8H2,1-2H3
  • InChiKey: WSROZFZIUQKNBE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate
  • 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid methyl ester
  • 4-(4-methyl-1-piperidyl)-3-nitro-benzoic acid methyl ester
  • methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate
  • A3411/0144693
  • ZINC04622787

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 multilocularis lipoxygenase domain containing protein 0.0041 0.005 0.0161
Loa Loa (eye worm) hypothetical protein 0.0041 0.005 0.0161
Schistosoma mansoni patched 1 0.0335 0.1201 0.1201
Brugia malayi Peroxidasin 0.0198 0.0664 0.2159
Plasmodium vivax multidomain scavenger receptor, putative 0.0041 0.005 1
Onchocerca volvulus Chorion peroxidase homolog 0.0198 0.0664 0.69
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0000000034253 0.000000011131
Schistosoma mansoni peroxidasin 0.0198 0.0664 0.0664
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0815 0.3077 0.3077
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0335 0.1201 0.1201
Loa Loa (eye worm) hypothetical protein 0.0198 0.0664 0.2159
Trichomonas vaginalis conserved hypothetical protein 0.0335 0.1201 0.8676
Schistosoma mansoni polycystin 1-related 0.0041 0.005 0.005
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0109 0.0315 0.1023
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0000000034253 0.000000011131
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0054 0.01 0.0325
Brugia malayi hypothetical protein 0.0198 0.0664 0.2159
Brugia malayi Animal haem peroxidase family protein 0.0198 0.0664 0.2159
Trypanosoma cruzi oligopeptidase b 0.0109 0.0315 0.1023
Brugia malayi Blistered cuticle protein 3 0.0198 0.0664 0.2159
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0317 0.1128 0.3666
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0815 0.3077 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0721 0.2709 0.8803
Echinococcus multilocularis protein patched 0.0335 0.1201 0.3901
Onchocerca volvulus 0.0198 0.0664 0.69
Trypanosoma brucei prolyl oligopeptidase, putative 0.0109 0.0315 0.1023
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0109 0.0315 0.1023
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0275 0.0963 0.0963
Echinococcus multilocularis RUN 0.0041 0.005 0.0161
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.015 0.0475 0.1542
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0246 0.085 1
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0109 0.0315 0.1023
Loa Loa (eye worm) hypothetical protein 0.0198 0.0664 0.2159
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0721 0.2709 0.8803
Loa Loa (eye worm) hypothetical protein 0.0198 0.0664 0.2159
Loa Loa (eye worm) hypothetical protein 0.0198 0.0664 0.2159
Schistosoma mansoni lipoxygenase 0.0173 0.0566 0.0566
Loa Loa (eye worm) blistered cuticle protein 3 0.0198 0.0664 0.2159
Loa Loa (eye worm) animal heme peroxidase 0.0198 0.0664 0.2159
Schistosoma mansoni lipoxygenase 0.0248 0.0858 0.0858
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0062 0.0201
Echinococcus granulosus lipoxygenase domain containing protein 0.0041 0.005 0.0161
Loa Loa (eye worm) animal heme peroxidase 0.0198 0.0664 0.2159
Trypanosoma brucei oligopeptidase b 0.0109 0.0315 0.1023
Echinococcus multilocularis protein dispatched 1 0.0335 0.1201 0.3901
Brugia malayi hypothetical protein 0.0041 0.005 0.0161
Entamoeba histolytica hypothetical protein, conserved 0.0029 0 0.5
Toxoplasma gondii prolyl endopeptidase 0.0275 0.0963 0.4366
Echinococcus granulosus Polycystic kidney disease protein 0.0041 0.005 0.0161
Loa Loa (eye worm) hypothetical protein 0.0198 0.0664 0.2159
Loa Loa (eye worm) hypothetical protein 0.0335 0.1201 0.3901
Echinococcus multilocularis Polycystic kidney disease protein 0.0041 0.005 0.0161
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0029 0 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0275 0.0963 0.3128
Loa Loa (eye worm) hypothetical protein 0.0198 0.0664 0.2159
Entamoeba histolytica prolyl oligopeptidase family protein 0.0029 0 0.5
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0815 0.3077 1
Loa Loa (eye worm) hypothetical protein 0.0198 0.0664 0.2159
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0062 0.0201
Brugia malayi Animal haem peroxidase family protein 0.0198 0.0664 0.2159
Echinococcus granulosus peroxidasin 0.0198 0.0664 0.2159
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0317 0.1128 0.3666
Echinococcus granulosus lipoxygenase domain containing protein 0.0041 0.005 0.0161
Mycobacterium ulcerans carboxylesterase, LipT 0.0149 0.0471 0.0563
Echinococcus multilocularis sterol regulatory element binding protein 0.0335 0.1201 0.3901
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0382 0.1384 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0149 0.0471 0.2909
Loa Loa (eye worm) doublecortin family protein 0.0041 0.005 0.0161
Loa Loa (eye worm) animal heme peroxidase 0.0198 0.0664 0.2159
Plasmodium falciparum LCCL domain-containing protein 0.0041 0.005 1
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0815 0.3077 1
Trypanosoma cruzi oligopeptidase b 0.0109 0.0315 0.1023
Loa Loa (eye worm) hypothetical protein 0.0198 0.0664 0.2159
Echinococcus granulosus microsomal glutathione S transferase 3 0.0592 0.2205 0.7164
Onchocerca volvulus 0.0041 0.005 0.0514
Echinococcus granulosus Protein patched homolog 1 0.0335 0.1201 0.3901
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0109 0.0315 0.1023
Onchocerca volvulus Peroxidasin homolog 0.0198 0.0664 0.69
Onchocerca volvulus 0.0198 0.0664 0.69
Brugia malayi Animal haem peroxidase family protein 0.0198 0.0664 0.2159
Loa Loa (eye worm) hypothetical protein 0.0198 0.0664 0.2159
Schistosoma mansoni rab6-interacting 0.0041 0.005 0.005
Onchocerca volvulus Peroxidase homolog 0.0198 0.0664 0.69
Echinococcus multilocularis prolyl endopeptidase 0.0275 0.0963 0.3128
Echinococcus granulosus RUN 0.0041 0.005 0.0161
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0275 0.0963 0.0963
Echinococcus granulosus nuclear factor of activated T cells 5 0.0077 0.019 0.0617
Brugia malayi Animal haem peroxidase family protein 0.0198 0.0664 0.2159
Echinococcus granulosus sterol regulatory element binding protein 0.0335 0.1201 0.3901
Onchocerca volvulus Peroxidasin homolog 0.0198 0.0664 0.69
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0815 0.3077 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0029 0 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0029 0 0.5
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0815 0.3077 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0335 0.1201 0.3901
Brugia malayi CHE-14 protein 0.0335 0.1201 0.3901
Loa Loa (eye worm) hypothetical protein 0.0198 0.0664 0.2159
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.015 0.0475 0.1542
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0248 0.0858 0.2788
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0275 0.0963 0.3128
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0592 0.2205 0.7164
Loa Loa (eye worm) hypothetical protein 0.0198 0.0664 0.2159
Loa Loa (eye worm) hypothetical protein 0.0198 0.0664 0.2159
Entamoeba histolytica prolyl oligopeptidase family protein 0.0029 0 0.5
Echinococcus granulosus prolyl endopeptidase 0.0275 0.0963 0.3128
Schistosoma mansoni hypothetical protein 0.0041 0.005 0.005
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0382 0.1384 1
Onchocerca volvulus 0.0041 0.005 0.0514
Leishmania major mitochondrial DNA polymerase beta 0.0317 0.1128 0.3666
Mycobacterium ulcerans hypothetical protein 0.0167 0.0541 0.0818
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0248 0.0858 0.2788
Loa Loa (eye worm) hypothetical protein 0.0815 0.3077 1
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0815 0.3077 1
Brugia malayi hypothetical protein 0.0041 0.005 0.0161
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0062 0.0201
Echinococcus granulosus Niemann Pick C1 protein 0.0335 0.1201 0.3901
Trypanosoma cruzi prolyl endopeptidase 0.0275 0.0963 0.3128
Onchocerca volvulus 0.0198 0.0664 0.69
Mycobacterium tuberculosis Conserved hypothetical protein 0.0167 0.0541 0.4225
Schistosoma mansoni loxhd1 0.0041 0.005 0.005
Leishmania major oligopeptidase b 0.0109 0.0315 0.1023
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0721 0.2709 0.8803
Toxoplasma gondii hypothetical protein 0.0051 0.0087 0.0396
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0077 0.019 0.0617
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.015 0.0475 0.1542
Schistosoma mansoni peroxidasin 0.0198 0.0664 0.0664
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0317 0.1128 0.3666
Loa Loa (eye worm) hypothetical protein 0.0275 0.0963 0.3128
Toxoplasma gondii MAPEG family protein 0.0592 0.2205 1
Trypanosoma brucei prolyl endopeptidase 0.0275 0.0963 0.3128
Loa Loa (eye worm) hypothetical protein 0.0041 0.005 0.0161
Loa Loa (eye worm) hypothetical protein 0.0198 0.0664 0.2159
Echinococcus multilocularis lipoxygenase domain containing protein 0.0041 0.005 0.0161
Onchocerca volvulus Prolyl endopeptidase homolog 0.0275 0.0963 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0062 0.0201
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0721 0.2709 0.2709
Schistosoma mansoni microsomal glutathione s-transferase 0.0592 0.2205 0.2205
Echinococcus multilocularis Niemann Pick C1 protein 0.0335 0.1201 0.3901
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0815 0.3077 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0382 0.1384 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0721 0.2709 0.8803
Loa Loa (eye worm) hypothetical protein 0.0198 0.0664 0.2159
Onchocerca volvulus Dual oxidase homolog 0.0198 0.0664 0.69
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0815 0.3077 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0029 0.0000000034253 0.0000000034253
Onchocerca volvulus Peroxidase homolog 0.0198 0.0664 0.69
Loa Loa (eye worm) animal heme peroxidase 0.0198 0.0664 0.2159
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0109 0.0315 0.5
Schistosoma mansoni memapsin-2 (A01 family) 0.0423 0.1545 0.1545
Echinococcus multilocularis peroxidasin 0.0198 0.0664 0.2159
Schistosoma mansoni rab6-interacting 0.0041 0.005 0.005
Brugia malayi Doublecortin family protein 0.0041 0.005 0.0161
Brugia malayi Animal haem peroxidase family protein 0.0198 0.0664 0.2159
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0382 0.1384 1

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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