Detailed information for compound 677440

Basic information

Technical information
  • TDR Targets ID: 677440
  • Name: ethyl 1-[2-[(4-ethoxyphenyl)-(4-methylphenyl) sulfonylamino]acetyl]piperidine-4-carboxylate
  • MW: 488.596 | Formula: C25H32N2O6S
  • H donors: 0 H acceptors: 4 LogP: 3.57 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1CCN(CC1)C(=O)CN(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)OCC
  • InChi: 1S/C25H32N2O6S/c1-4-32-22-10-8-21(9-11-22)27(34(30,31)23-12-6-19(3)7-13-23)18-24(28)26-16-14-20(15-17-26)25(29)33-5-2/h6-13,20H,4-5,14-18H2,1-3H3
  • InChiKey: QLKLJIQGHSCRHH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 1-[2-[(4-ethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]acetyl]piperidine-4-carboxylate
  • 1-[2-[(4-ethoxyphenyl)-(4-methylphenyl)sulfonylamino]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester
  • 1-[2-[(4-ethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]acetyl]isonipecotic acid ethyl ester
  • ethyl 1-[2-[(4-ethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate
  • ZINC00784402
  • BAS 04870233

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 bloom syndrome protein 0.0023 0.0391 0.014
Loa Loa (eye worm) hypothetical protein 0.0024 0.0399 0.0416
Echinococcus multilocularis phospholipase A 2 activating protein 0.0035 0.0774 0.0534
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0979 0.1025
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0054 0.0061
Leishmania major hypothetical protein, conserved 0.0035 0.0774 0.0803
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0778 0.0538
Echinococcus granulosus dnaJ subfamily C 6 0.0059 0.1579 0.136
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0054 0.0061
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0803 0.6396
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0778 0.0807
Schistosoma mansoni lipoxygenase 0.0019 0.0254 0.0254
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0778 0.0869
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.7168 0.7094
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0577 0.0577
Trypanosoma brucei WD domain, G-beta repeat/PFU (PLAA family ubiquitin binding), putative 0.0024 0.0399 0.0396
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.6264 0.749
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0979 0.1025
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.4179 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0054 0.0061
Schistosoma mansoni alpha-glucosidase 0.0136 0.4098 0.4098
Loa Loa (eye worm) hypothetical protein 0.0019 0.0254 0.0241
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0803 0.0564
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0778 0.0869
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0778 0.0869
Schistosoma mansoni hypothetical protein 0.0059 0.1579 0.1579
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.4822 0.5751
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0803 0.0863
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0979 0.1025
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0778 0.0869
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.1386 0.1162
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.4822 0.5751
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0316 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.4822 0.4687
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0293 0.9259 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.0803 0.0803
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.4179 0.8706
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0316 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0803 0.0834
Loa Loa (eye worm) glutaminase 2 0.0265 0.8345 1
Schistosoma mansoni loxhd1 0.0019 0.0254 0.0254
Schistosoma mansoni rab6-interacting 0.0019 0.0254 0.0254
Toxoplasma gondii PUL domain-containing protein 0.0035 0.0774 0.612
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0391 0.014
Loa Loa (eye worm) glutaminase 0.0265 0.8345 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.8948 1
Schistosoma mansoni rab6-interacting 0.0019 0.0254 0.0254
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0778 0.0807
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.4822 0.4687
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.4179 0.4477
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0254 0.0241
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0577 0.0332
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0293 0.9259 1
Onchocerca volvulus 0.0019 0.0254 0.028
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0778 0.0835
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0803 0.0834
Treponema pallidum fructose-bisphosphate aldolase 0.0284 0.8948 0.5
Trichomonas vaginalis phospholipase A-2-activating protein, putative 0.0035 0.0774 0.0865
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0316 1 1
Schistosoma mansoni hypothetical protein 0.0047 0.1163 0.1163
Brugia malayi DnaJ domain containing protein 0.0059 0.1579 0.1839
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0225 0.7013 0.8394
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.1163 0.1338
Schistosoma mansoni alkaline phosphatase 0.0316 1 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0284 0.8948 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.4184 0.4499
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0391 0.0406
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.4699 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.0803 0.0803
Brugia malayi hypothetical protein 0.0019 0.0254 0.0241
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0316 1 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.3479 0.4131
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0778 0.0869
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.8948 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0542 0.0296
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.1386 0.1162
Entamoeba histolytica hypothetical protein 0.0023 0.0375 0.0383
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.4822 0.4687
Schistosoma mansoni phospholipase A-2-activating protein 0.0024 0.0399 0.0399
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0803 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0803 0.0834
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0229 0.0229
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.8948 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.8948 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0778 0.6156
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0778 0.0835
Brugia malayi follicle stimulating hormone receptor 0.0225 0.7013 0.8394
Trichomonas vaginalis DNA helicase recq, putative 0.0012 0.0034 0.0038
Brugia malayi Doublecortin family protein 0.0019 0.0254 0.0241
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0577 0.0332
Trichomonas vaginalis glutaminase, putative 0.0265 0.8345 0.9326
Loa Loa (eye worm) WD domain-containing protein 0.0024 0.0399 0.0416
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0778 0.0538
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0778 0.0869
Mycobacterium ulcerans hypothetical protein 0.0154 0.4699 0.5166
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0577 0.0332
Trypanosoma brucei glucosidase, putative 0.0035 0.0778 0.0807
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.8948 1
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.7168 0.7094
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0316 1 1
Trypanosoma cruzi WD domain, G-beta repeat/PFU (PLAA family ubiquitin binding), putative 0.0035 0.0774 0.0803
Plasmodium falciparum polyubiquitin binding protein, putative 0.0035 0.0774 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0054 0.0022
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0778 0.0869
Schistosoma mansoni glutaminase 0.0265 0.8345 0.8345
Brugia malayi Inositol-1 0.0036 0.0803 0.0903
Schistosoma mansoni survival motor neuron protein 0.0047 0.1163 0.1163
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0054 0.0061
Brugia malayi hypothetical protein 0.0229 0.7168 0.858
Echinococcus granulosus phospholipase A 2 activating protein 0.0035 0.0774 0.0534
Loa Loa (eye worm) RecQ helicase 0.0023 0.0391 0.0406
Trypanosoma brucei glycosyl hydrolase-like protein 0.0013 0.0054 0.0022
Trypanosoma cruzi WD domain, G-beta repeat/PFU (PLAA family ubiquitin binding), putative 0.0035 0.0774 0.0803
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0778 0.0873
Trichomonas vaginalis protein kinase inhibitor, putative 0.0059 0.1579 0.1764
Toxoplasma gondii hypothetical protein 0.0047 0.1179 1
Loa Loa (eye worm) DnaJ domain-containing protein 0.0059 0.1579 0.1839
Onchocerca volvulus 0.0029 0.0577 0.0733
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0577 0.0577
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0577 0.0577
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0803 0.0897
Onchocerca volvulus 0.0019 0.0254 0.028
Schistosoma mansoni hypothetical protein 0.0164 0.5016 0.5016
Onchocerca volvulus 0.023 0.7181 1
Plasmodium vivax SET domain protein, putative 0.0029 0.0577 1
Leishmania major mitochondrial DNA polymerase beta 0.0293 0.9259 1
Echinococcus multilocularis alkaline phosphatase 0.0316 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.8948 1
Loa Loa (eye worm) hypothetical protein 0.0229 0.7168 0.858
Brugia malayi WD domain containing protein 0.0035 0.0774 0.0868
Mycobacterium ulcerans glutaminase 0.0265 0.8345 1
Schistosoma mansoni alpha glucosidase 0.0035 0.0778 0.0778
Loa Loa (eye worm) hypothetical protein 0.0029 0.0577 0.063
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0391 0.0436
Brugia malayi Pre-SET motif family protein 0.0029 0.0577 0.063
Onchocerca volvulus 0.0091 0.2631 0.3615
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0577 0.4227
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0803 0.0834
Echinococcus multilocularis dnaJ subfamily C 6 0.0059 0.1579 0.136
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0803 0.0897
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0054 0.0061
Loa Loa (eye worm) hypothetical protein 0.0019 0.0254 0.0241
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0054 0.0061
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0013 0.0054 0.0023
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.8948 1
Brugia malayi Pre-SET motif family protein 0.0202 0.6264 0.749
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0054 0.0061
Trichomonas vaginalis maltase-glucoamylase, putative 0.0013 0.0054 0.0061
Schistosoma mansoni lipoxygenase 0.0054 0.1386 0.1386
Schistosoma mansoni polycystin 1-related 0.0019 0.0254 0.0254
Echinococcus granulosus alkaline phosphatase 0.0316 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0577 0.0577
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0054 0.0022
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.1276 0.1346
Schistosoma mansoni alpha-glucosidase 0.0136 0.4098 0.4098
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0803 0.0897
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0778 0.0869
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0979 0.1025
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0778 0.0869
Schistosoma mansoni hypothetical protein 0.0019 0.0254 0.0254
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0293 0.9259 1
Brugia malayi glutaminase DH11.1 0.0265 0.8345 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0254 0.2559
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.8948 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.8948 1
Trichomonas vaginalis phospholipase A-2-activating protein, putative 0.0024 0.0399 0.0446
Schistosoma mansoni alkaline phosphatase 0.0316 1 1
Onchocerca volvulus 0.0047 0.1163 0.1556
Loa Loa (eye worm) inositol-1 0.0036 0.0803 0.0903
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.4184 0.4499
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.4184 0.4499
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.8948 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0298 0.0842
Leishmania major glycosyl hydrolase-like protein 0.0013 0.0054 0.0022
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0803 0.0564
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0778 0.0807
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0778 0.0873
Trichomonas vaginalis set domain proteins, putative 0.023 0.7181 0.8025
Brugia malayi hypothetical protein 0.0019 0.0254 0.0241
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0391 0.0436

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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