Detailed information for compound 417126

Basic information

Technical information
  • TDR Targets ID: 417126
  • Name: (4R,5R)-5-amino-4-(2-chlorophenyl)-1-phenylpi peridin-2-one
  • MW: 300.783 | Formula: C17H17ClN2O
  • H donors: 1 H acceptors: 1 LogP: 2.49 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C[C@@H]([C@H](CN1c1ccccc1)N)c1ccccc1Cl
  • InChi: 1S/C17H17ClN2O/c18-15-9-5-4-8-13(15)14-10-17(21)20(11-16(14)19)12-6-2-1-3-7-12/h1-9,14,16H,10-11,19H2/t14-,16+/m1/s1
  • InChiKey: NYWTUQDFNDEXFQ-ZBFHGGJFSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (4R,5R)-5-amino-4-(2-chlorophenyl)-1-phenyl-piperidin-2-one
  • (4R,5R)-5-amino-4-(2-chlorophenyl)-1-phenyl-2-piperidinone
  • (4R,5R)-5-azanyl-4-(2-chlorophenyl)-1-phenyl-piperidin-2-one
  • (4R,5R)-5-amino-4-(2-chlorophenyl)-1-phenyl-2-piperidone

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
Schistosoma japonicum ko:K01278 dipeptidyl-peptidase 4, putative Get druggable targets OG5_128614 All targets in OG5_128614
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 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 mansoni subfamily S9B unassigned peptidase (S09 family) 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
Candida albicans dipeptidyl aminopeptidase B 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
Candida albicans dipeptidyl aminopeptidase B 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
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0083 0.0119 0.0119
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0593 0.4766 0.5
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0209 0.1266 0.1319
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0593 0.4766 0.4965
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0083 0.0119 0.0124
Brugia malayi nuclear hormone receptor 0.0083 0.0119 0.0249
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0083 0.0119 0.0249
Echinococcus multilocularis FTZ F1 alpha 0.0083 0.0119 0.0124
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0593 0.4766 1
Brugia malayi Nuclear hormone receptor-like 1 0.0083 0.0119 0.0249
Echinococcus multilocularis ecdysone induced protein 78C 0.0083 0.0119 0.0124
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0083 0.0119 0.0119
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0083 0.0119 0.0119
Schistosoma mansoni thyroid hormone receptor 0.0083 0.0119 0.0119
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0083 0.0119 0.0119
Schistosoma mansoni nuclear hormone receptor 0.0083 0.0119 0.0119
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0593 0.4766 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0083 0.0119 0.0119
Loa Loa (eye worm) prolyl oligopeptidase 0.0209 0.1266 0.2468
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.007 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0083 0.0119 0.0119
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0593 0.4766 0.4766
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0083 0.0119 0.0249
Schistosoma mansoni steroid hormone receptor ad4bp 0.0083 0.0119 0.0119
Echinococcus granulosus ecdysone induced protein 78C 0.0083 0.0119 0.0119
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0083 0.0119 0.0249
Echinococcus multilocularis transcription factor Dp 1 0.0343 0.2489 0.2593
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0083 0.0119 0.0119
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0083 0.0119 0.0249
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0083 0.0119 0.0119
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0083 0.0119 0.0119
Brugia malayi steroid hormone receptor 0.0083 0.0119 0.0249
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0083 0.0119 0.0249
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0083 0.0119 0.0124
Schistosoma mansoni coup transcription factor 0.0083 0.0119 0.0119
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0083 0.0119 0.0124
Echinococcus granulosus transcription factor Dp 1 0.0343 0.2489 0.2489
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0593 0.4766 1
Schistosoma mansoni retinoic acid receptor RXR 0.1168 1 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0593 0.4766 0.4766
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0083 0.0119 0.0249
Echinococcus multilocularis thyroid hormone receptor alpha 0.0083 0.0119 0.0124
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0083 0.0119 0.0249
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0209 0.1266 0.1266
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0593 0.4766 1
Schistosoma mansoni thyroid hormone receptor 0.0083 0.0119 0.0119
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0083 0.0119 0.0124
Echinococcus granulosus FTZ F1 alpha 0.0083 0.0119 0.0119
Schistosoma mansoni RAR-like nuclear receptor 0.0083 0.0119 0.0119
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0209 0.1266 1
Brugia malayi prolyl oligopeptidase family protein 0.0209 0.1266 0.2656
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0083 0.0119 0.0249
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0083 0.0119 0.0249
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0083 0.0119 0.0249
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0593 0.4766 1
Brugia malayi ecdysteroid receptor 0.0083 0.0119 0.0249
Brugia malayi nuclear receptor NHR-88 0.0083 0.0119 0.0249
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0083 0.0119 0.0119
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0209 0.1266 0.1266
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0083 0.0119 0.0119
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1124 0.9599 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0083 0.0119 0.0119
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0083 0.0119 0.0249
Brugia malayi photoreceptor-specific nuclear receptor 0.0083 0.0119 0.0249
Brugia malayi Steroid receptor seven-up type 2 0.0083 0.0119 0.0249
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0083 0.0119 0.0124
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0593 0.4766 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0083 0.0119 0.0124
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0083 0.0119 0.0249
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0083 0.0119 0.0249

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1600 nM Inhibition of human DPP4 ChEMBL. 17367123
Ki (binding) = 1600 nM Inhibition of human DPP4 ChEMBL. 17367123

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.