Detailed information for compound 290221

Basic information

Technical information
  • TDR Targets ID: 290221
  • Name: diethyl 1-[2-[4-methoxycarbonyl-4-(N-propanoy lanilino)piperidin-1-yl]ethyl]imidazole-4,5-d icarboxylate
  • MW: 528.597 | Formula: C27H36N4O7
  • H donors: 0 H acceptors: 5 LogP: 2.88 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC(=O)c1n(CCN2CCC(CC2)(C(=O)OC)N(c2ccccc2)C(=O)CC)cnc1C(=O)OCC
  • InChi: 1S/C27H36N4O7/c1-5-21(32)31(20-11-9-8-10-12-20)27(26(35)36-4)13-15-29(16-14-27)17-18-30-19-28-22(24(33)37-6-2)23(30)25(34)38-7-3/h8-12,19H,5-7,13-18H2,1-4H3
  • InChiKey: YTGCSVRJXZVWKN-UHFFFAOYSA-N  

Network

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Synonyms

  • diethyl 1-[2-[4-methoxycarbonyl-4-(N-propanoylanilino)-1-piperidyl]ethyl]imidazole-4,5-dicarboxylate
  • 1-[2-[4-methoxycarbonyl-4-[N-(1-oxopropyl)anilino]-1-piperidinyl]ethyl]imidazole-4,5-dicarboxylic acid diethyl ester
  • diethyl 1-[2-[4-methoxycarbonyl-4-[phenyl(propanoyl)amino]piperidin-1-yl]ethyl]imidazole-4,5-dicarboxylate
  • 1-[2-[4-carbomethoxy-4-(N-propionylanilino)piperidino]ethyl]imidazole-4,5-dicarboxylic acid diethyl ester
  • diethyl 1-[2-[4-methoxycarbonyl-4-(phenyl-propanoylamino)piperidin-1-yl]ethyl]imidazole-4,5-dicarboxylate
  • diethyl 1-[2-[4-methoxycarbonyl-4-(phenyl-propanoyl-amino)-1-piperidyl]ethyl]imidazole-4,5-dicarboxylate
  • 1-[2-[4-methoxycarbonyl-4-(1-oxopropyl-phenylamino)-1-piperidinyl]ethyl]imidazole-4,5-dicarboxylic acid diethyl ester
  • 1-[2-[4-carbomethoxy-4-(phenyl-propionyl-amino)-1-piperidyl]ethyl]imidazole-4,5-dicarboxylic acid diethyl ester
  • diethyl 1-[2-[4-methoxycarbonyl-4-(phenyl-propanoyl-amino)piperidin-1-yl]ethyl]imidazole-4,5-dicarboxylate

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
Plasmodium vivax histone deacetylase, putative 0.0269 0.5331 0.3719
Giardia lamblia Histone deacetylase 0.0413 1 0.5
Echinococcus granulosus histone deacetylase 8 0.0184 0.2567 0.2179
Loa Loa (eye worm) histone deacetylase 11 0.0184 0.2567 0.2567
Brugia malayi Histone deacetylase family protein 0.0269 0.5331 0.5114
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0413 1 0.5
Schistosoma mansoni histone deacetylase 4 5 0.0269 0.5331 0.4392
Plasmodium vivax histone deacetylase 1, putative 0.0413 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0269 0.5331 0.3719
Schistosoma mansoni histone deacetylase hda2 0.0288 0.5937 0.512
Trypanosoma cruzi histone deacetylase, putative 0.0269 0.5331 0.3719
Trypanosoma cruzi histone deacetylase 1, putative 0.0413 1 1
Echinococcus multilocularis histone deacetylase 8 0.0184 0.2567 0.2179
Trypanosoma brucei histone deacetylase 3 0.0269 0.5331 0.3719
Mycobacterium leprae conserved hypothetical protein 0.0333 0.7412 0.5
Mycobacterium ulcerans hypothetical protein 0.0333 0.7412 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0413 1 0.5
Brugia malayi Histone deacetylase 1 0.0413 1 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0184 0.2567 0.5
Echinococcus multilocularis histone deacetylase 7 0.0269 0.5331 0.5087
Echinococcus granulosus histone deacetylase 3 0.0413 1 1
Toxoplasma gondii histone deacetylase HDAC1 0.0269 0.5331 0.3719
Echinococcus multilocularis histone deacetylase 6 0.0269 0.5331 0.5087
Toxoplasma gondii histone deacetylase HDAC2 0.0413 1 1
Plasmodium vivax histone deacetylase 2, putative 0.0269 0.5331 0.3719
Loa Loa (eye worm) hypothetical protein 0.0122 0.059 0.059
Echinococcus multilocularis histone deacetylase 0.0269 0.5331 0.5087
Leishmania major histone deacetylase, putative 0.0413 1 1
Brugia malayi histone deacetylase 1 (HD1) 0.0413 1 1
Schistosoma mansoni histone deacetylase 0.0413 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0413 1 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0413 1 0.5
Loa Loa (eye worm) integrin alpha pat-2 0.024 0.4405 0.4405
Brugia malayi Histone deacetylase family protein 0.0269 0.5331 0.5114
Echinococcus multilocularis histone deacetylase 6 0.0269 0.5331 0.5087
Brugia malayi Integrin alpha pat-2 precursor 0.0156 0.1674 0.1286
Toxoplasma gondii histone deacetylase HDAC3 0.0413 1 1
Loa Loa (eye worm) hypothetical protein 0.0184 0.2567 0.2567
Echinococcus granulosus histone deacetylase 7 0.0269 0.5331 0.5087
Entamoeba histolytica histone deacetylase, putative 0.0413 1 1
Echinococcus granulosus histone deacetylase 6 0.0269 0.5331 0.5087
Trypanosoma cruzi histone deacetylase 1, putative 0.0413 1 1
Loa Loa (eye worm) histone deacetylase 1 0.0413 1 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.0446 0.0446
Plasmodium falciparum histone deacetylase 1 0.0413 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0333 0.7412 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0413 1 0.5
Echinococcus granulosus histone deacetylase 6 0.0269 0.5331 0.5087
Echinococcus multilocularis histone deacetylase 1 0.0413 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0413 1 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0413 1 0.5
Schistosoma mansoni histone deacetylase hda2 0.0184 0.2567 0.1073
Brugia malayi histone deacetylase 11 0.0184 0.2567 0.2221
Echinococcus granulosus histone deacetylase 0.0269 0.5331 0.5087
Loa Loa (eye worm) histone deacetylase 0.0269 0.5331 0.5331
Trypanosoma brucei histone deacetylase 1 0.0413 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0413 1 0.5
Mycobacterium ulcerans hypothetical protein 0.0333 0.7412 0.5
Trypanosoma brucei histone deacetylase, putative 0.0269 0.5331 0.3719
Echinococcus multilocularis histone deacetylase 3 0.0413 1 1
Schistosoma mansoni histone deacetylase 0.0413 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0413 1 0.5
Echinococcus multilocularis histone deacetylase 6 0.0288 0.5937 0.5724
Trypanosoma brucei histone deacetylase 4 0.0269 0.5331 0.3719
Loa Loa (eye worm) hypothetical protein 0.0413 1 1
Mycobacterium tuberculosis Conserved protein 0.0333 0.7412 0.5
Leishmania major histone deacetylase, putative 0.0413 1 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0184 0.2567 0.1073
Echinococcus granulosus histone deacetylase 6 0.0288 0.5937 0.5724
Loa Loa (eye worm) histone deacetylase 3 0.0413 1 1
Echinococcus granulosus histone deacetylase 1 0.0413 1 1
Loa Loa (eye worm) histone deacetylase 7A 0.0269 0.5331 0.5331
Schistosoma mansoni histone deacetylase 4 5 0.0269 0.5331 0.4392
Trypanosoma cruzi histone deacetylase, putative 0.0269 0.5331 0.3719

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 5 mg kg-1 Analgesic activity at 1 min following injection at 1 mg/kg into the lateral tail vein of the rat (55 degree centigrade hot plate assay) ChEMBL. 1847432

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

1 literature reference was collected for this gene.

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