Detailed information for compound 889200

Basic information

Technical information
  • TDR Targets ID: 889200
  • Name: dimethyl 5-[(4-cyano-4-phenylpiperidine-1-car bonyl)amino]benzene-1,3-dicarboxylate
  • MW: 421.446 | Formula: C23H23N3O5
  • H donors: 1 H acceptors: 4 LogP: 2.51 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cc(NC(=O)N2CCC(CC2)(C#N)c2ccccc2)cc(c1)C(=O)OC
  • InChi: 1S/C23H23N3O5/c1-30-20(27)16-12-17(21(28)31-2)14-19(13-16)25-22(29)26-10-8-23(15-24,9-11-26)18-6-4-3-5-7-18/h3-7,12-14H,8-11H2,1-2H3,(H,25,29)
  • InChiKey: XDEFZBIAIIDQKB-UHFFFAOYSA-N  

Network

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Synonyms

  • dimethyl 5-[(4-cyano-4-phenyl-piperidine-1-carbonyl)amino]benzene-1,3-dicarboxylate
  • 5-[[(4-cyano-4-phenyl-1-piperidinyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester
  • 5-[(4-cyano-4-phenyl-piperidine-1-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester
  • dimethyl 5-[(4-cyano-4-phenyl-piperidin-1-yl)carbonylamino]benzene-1,3-dicarboxylate
  • Oprea1_062476

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
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.0575 0.0381
Trichomonas vaginalis alpha-glucosidase, putative 0.0189 0.0978 0.4044
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0141 0.059 0.239
Schistosoma mansoni alpha glucosidase 0.0189 0.0978 0.0762
Trichomonas vaginalis alpha-glucosidase, putative 0.0133 0.0525 0.2111
Loa Loa (eye worm) hypothetical protein 0.0133 0.0525 0.0525
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0822 0.6126 0.5883
Echinococcus granulosus lysosomal alpha glucosidase 0.1299 1 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0189 0.0978 1
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.1318 0.0773
Trichomonas vaginalis alpha-glucosidase, putative 0.0133 0.0525 0.2111
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0189 0.0978 0.0978
Trichomonas vaginalis maltase-glucoamylase, putative 0.0133 0.0525 0.2111
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0141 0.059 0.239
Schistosoma mansoni alpha-l-fucosidase 0.0822 0.6126 0.6312
Leishmania major alpha glucosidase II subunit, putative 0.0189 0.0978 0.345
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0189 0.0978 0.4044
Entamoeba histolytica glycogen debranching enzyme, putative 0.0141 0.059 0.1442
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0575 0.0381
Loa Loa (eye worm) hypothetical protein 0.0231 0.1318 0.1318
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0133 0.0525 0.2111
Onchocerca volvulus 0.0934 0.7031 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0133 0.0525 0.2111
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0189 0.0978 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0189 0.0978 0.4044
Trichomonas vaginalis alpha-glucosidase, putative 0.0133 0.0525 0.2111
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0189 0.0978 0.4044
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.1318 0.0773
Schistosoma mansoni alpha-glucosidase 0.1243 0.9547 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.0703 0.5
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0141 0.059 0.0069
Brugia malayi hypothetical protein 0.0231 0.1318 0.0837
Trichomonas vaginalis alpha-glucosidase, putative 0.0189 0.0978 0.4044
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0575 0.0381
Mycobacterium ulcerans alpha-L-fucosidase 0.0822 0.6126 1
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0822 0.6126 0.5883
Trichomonas vaginalis alpha-glucosidase, putative 0.0189 0.0978 0.4044
Giardia lamblia 4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase 0.0141 0.059 0.5
Brugia malayi Alpha-L-fucosidase family protein 0.0822 0.6126 0.5912
Schistosoma mansoni alpha-glucosidase 0.1243 0.9547 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.1299 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0133 0.0525 0.2111
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 0.1838 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0189 0.0978 0.4044
Trichomonas vaginalis alpha-glucosidase, putative 0.0189 0.0978 0.4044
Trypanosoma cruzi hypothetical protein, conserved 0.0189 0.0978 0.345
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.1838 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0189 0.0978 0.4044
Trypanosoma brucei glucosidase, putative 0.0189 0.0978 0.345
Schistosoma mansoni hypothetical protein 0.0182 0.0919 0.0698
Loa Loa (eye worm) alpha-L-fucosidase 0.0822 0.6126 0.6126
Echinococcus multilocularis lysosomal alpha glucosidase 0.1299 1 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.059 0.059
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0361 0.2373 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0189 0.0978 0.0412
Leishmania major mitochondrial DNA polymerase beta 0.0295 0.1838 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.1838 1
Trypanosoma cruzi hypothetical protein, conserved 0.0189 0.0978 0.345
Echinococcus granulosus neutral alpha glucosidase AB 0.0189 0.0978 0.0412
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0361 0.2373 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0189 0.0978 0.0478
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1299 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0133 0.0525 0.2111
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0189 0.0978 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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