Detailed information for compound 155102

Basic information

Technical information
  • TDR Targets ID: 155102
  • Name: (2S)-1-[2-[[1-(cyclohexanecarbonyl)piperidin- 4-yl]amino]acetyl]pyrrolidine-2-carbonitrile
  • MW: 346.467 | Formula: C19H30N4O2
  • H donors: 1 H acceptors: 3 LogP: 1.77 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C[C@@H]1CCCN1C(=O)CNC1CCN(CC1)C(=O)C1CCCCC1
  • InChi: 1S/C19H30N4O2/c20-13-17-7-4-10-23(17)18(24)14-21-16-8-11-22(12-9-16)19(25)15-5-2-1-3-6-15/h15-17,21H,1-12,14H2/t17-/m0/s1
  • InChiKey: WJPNKZMGJQCQFD-KRWDZBQOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-1-[2-[[1-(cyclohexanecarbonyl)-4-piperidyl]amino]acetyl]pyrrolidine-2-carbonitrile
  • (2S)-1-[2-[[1-[cyclohexyl(oxo)methyl]-4-piperidinyl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile
  • (2S)-1-[2-[(1-cyclohexylcarbonylpiperidin-4-yl)amino]ethanoyl]pyrrolidine-2-carbonitrile
  • (2S)-1-[2-[[1-(cyclohexyl-oxomethyl)-4-piperidinyl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dipeptidyl-peptidase 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog Get druggable targets OG5_128614 All targets in OG5_128614
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) Get druggable targets OG5_128614 All targets in OG5_128614
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_128614 All targets in OG5_128614
Schistosoma japonicum ko:K01278 dipeptidyl-peptidase 4, putative Get druggable targets OG5_128614 All targets in OG5_128614
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus granulosus dipeptidyl aminopeptidaseprotein Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein Get druggable targets OG5_128614 All targets in OG5_128614
Loa Loa (eye worm) prolyl oligopeptidase Get druggable targets OG5_128614 All targets in OG5_128614
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
Brugia malayi Latrophilin receptor protein 2 0.0049 0.1686 0.1686
Mycobacterium tuberculosis Probable peptidase 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.1686 0.1686
Schistosoma mansoni hypothetical protein 0.0049 0.1686 0.1686
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0464 0.1663
Schistosoma mansoni hypothetical protein 0.0049 0.1686 0.1686
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0017 0 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.1686 0.1686
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.007 0.2791 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0017 0 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0017 0 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.007 0.2791 1
Brugia malayi hypothetical protein 0.0054 0.193 0.193
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.007 0.2791 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0209 1 1
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.007 0.2791 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0464 0.0464
Leishmania major hypothetical protein, conserved 0.0026 0.0464 0.1663
Brugia malayi hypothetical protein 0.0026 0.0464 0.0464
Echinococcus multilocularis GPCR, family 2 0.0049 0.1686 0.1686
Echinococcus granulosus GPCR family 2 0.0049 0.1686 0.1686
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0464 0.1663
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0 0.5
Echinococcus multilocularis Dipeptidyl peptidase 9 0.007 0.2791 0.2791
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0464 0.1663
Brugia malayi Calcitonin receptor-like protein seb-1 0.0155 0.7189 0.7189
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.4642 0.4642
Schistosoma mansoni hypothetical protein 0.0049 0.1686 0.1686
Echinococcus granulosus Dipeptidyl peptidase 9 0.007 0.2791 0.2791
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.007 0.2791 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0209 1 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0 0.5
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0209 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.1686 0.1686
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0464 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0155 0.7189 0.7189
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0017 0 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.1686 0.1686
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.1686 0.1686
Brugia malayi prolyl oligopeptidase family protein 0.007 0.2791 0.2791
Schistosoma mansoni hypothetical protein 0.0106 0.4642 0.4642
Loa Loa (eye worm) hypothetical protein 0.0054 0.193 0.193
Giardia lamblia Alanyl dipeptidyl peptidase 0.0017 0 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0017 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0155 0.7189 0.7189
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.1686 0.1686
Giardia lamblia Alanyl dipeptidyl peptidase 0.0017 0 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.1686 0.1686
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0209 1 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0209 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0464 0.1663
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.1686 0.1686
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.007 0.2791 0.2791
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0017 0 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0464 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0464 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0106 0.4642 0.4642
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0155 0.7189 0.7189
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.007 0.2791 1
Entamoeba histolytica hypothetical protein, conserved 0.0017 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 23 nM Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells ChEMBL. 12801240
IC50 (binding) = 23 nM Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells ChEMBL. 12801240

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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