Detailed information for compound 143711

Basic information

Technical information
  • TDR Targets ID: 143711
  • Name: (2S)-N-[(2S)-5-amino-1-[(2S)-2-carbamoylpyrro lidin-1-yl]-1,5-dioxopentan-2-yl]-5-oxopyrrol idine-2-carboxamide
  • MW: 353.374 | Formula: C15H23N5O5
  • H donors: 4 H acceptors: 5 LogP: -2.78 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)CC[C@@H](C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@@H]1CCC(=O)N1
  • InChi: 1S/C15H23N5O5/c16-11(21)5-3-9(19-14(24)8-4-6-12(22)18-8)15(25)20-7-1-2-10(20)13(17)23/h8-10H,1-7H2,(H2,16,21)(H2,17,23)(H,18,22)(H,19,24)/t8-,9-,10-/m0/s1
  • InChiKey: PUSBMAFTPFJNNF-GUBZILKMSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-N-[(1S)-4-amino-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-4-oxo-butyl]-5-oxo-pyrrolidine-2-carboxamide
  • (2S)-N-[(1S)-4-amino-1-[[(2S)-2-carbamoyl-1-pyrrolidinyl]-oxomethyl]-4-oxobutyl]-5-oxo-2-pyrrolidinecarboxamide
  • (2S)-N-[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-5-azanyl-1,5-dioxo-pentan-2-yl]-5-oxo-pyrrolidine-2-carboxamide
  • (2S)-N-[(1S)-4-amino-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-4-keto-butyl]-5-keto-pyrrolidine-2-carboxamide
  • (2S)-N-[(2S)-5-amino-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-1,5-dioxo-pentan-2-yl]-5-oxo-pyrrolidine-2-carboxamide

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
Brugia malayi Carboxylesterase family protein 0.0135 0.3035 1
Trichomonas vaginalis conserved hypothetical protein 0.0043 0 0.5
Brugia malayi hypothetical protein 0.0066 0.0757 0.2493
Echinococcus multilocularis carboxylesterase 5A 0.0135 0.3035 0.9296
Echinococcus granulosus acetylcholinesterase 0.0135 0.3035 0.9296
Brugia malayi Niemann-Pick C1 protein precursor 0.01 0.1864 0.6141
Echinococcus multilocularis Niemann Pick C1 protein 0.01 0.1864 0.5709
Echinococcus multilocularis acetylcholinesterase 0.0135 0.3035 0.9296
Echinococcus multilocularis Niemann Pick C1 protein 0.0142 0.3265 1
Brugia malayi Carboxylesterase family protein 0.0135 0.3035 1
Echinococcus granulosus carboxylesterase 5A 0.0135 0.3035 0.9296
Echinococcus granulosus Niemann Pick C1 protein 0.01 0.1864 0.5709
Loa Loa (eye worm) acetylcholinesterase 1 0.0135 0.3035 1
Loa Loa (eye worm) carboxylesterase 0.0135 0.3035 1
Echinococcus granulosus expressed conserved protein 0.0094 0.1666 0.5102
Onchocerca volvulus 0.0066 0.0757 0.5
Loa Loa (eye worm) hypothetical protein 0.0135 0.3035 1
Echinococcus multilocularis protein dispatched 1 0.0049 0.0198 0.0606
Echinococcus multilocularis expressed conserved protein 0.0094 0.1666 0.5102
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0084 0.1347 0.4125
Echinococcus granulosus Niemann Pick C1 protein 0.0142 0.3265 1
Schistosoma mansoni jun-related protein 0.0068 0.0832 0.0832
Loa Loa (eye worm) hypothetical protein 0.01 0.1864 0.6141
Echinococcus granulosus jun protein 0.0084 0.1347 0.4125
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0135 0.3035 0.3035
Schistosoma mansoni hypothetical protein 0.0068 0.0832 0.0832
Echinococcus multilocularis jun protein 0.0084 0.1347 0.4125
Echinococcus granulosus acetylcholinesterase 0.0135 0.3035 0.9296
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.01 0.1864 0.5
Brugia malayi bZIP transcription factor family protein 0.0084 0.1347 0.4437
Loa Loa (eye worm) hypothetical protein 0.0081 0.1271 0.4189
Loa Loa (eye worm) hypothetical protein 0.0052 0.0315 0.1039
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0101 0.1914 0.1914
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0084 0.1347 0.4125
Loa Loa (eye worm) hypothetical protein 0.0135 0.3035 1
Echinococcus multilocularis acetylcholinesterase 0.0135 0.3035 0.9296

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Compound was tested for motor impairment in mice by neuropharmacological test; No effect ChEMBL. No reference
Activity (functional) Compound was tested for psychomotor activation on CNS in mice by neuropharmacological test; No effect ChEMBL. No reference
Activity (functional) Compound was tested for sedative action in mice by neuropharmacological test; No effect ChEMBL. No reference
Activity (functional) Compound was tested for myorelaxant action in mice by neuropharmacological test; No effect ChEMBL. No reference
Activity (functional) 0 Compound was tested for sedative action in mice by neuropharmacological test; No effect ChEMBL. No reference
Activity (functional) 0 Compound was tested for myorelaxant action in mice by neuropharmacological test; No effect ChEMBL. No reference
Activity (functional) 0 Compound was tested for motor impairment in mice by neuropharmacological test; No effect ChEMBL. No reference
Activity (functional) 0 Compound was tested for psychomotor activation on CNS in mice by neuropharmacological test; No effect ChEMBL. No reference
Inhibition (binding) Reversible inhibition of pig brain TRH-DE using Glp-His-ProAMC as substrate at 400 uM preincubated for 75 mins by DPP-4-based continuous fluorometric method PATENT. No reference
Inhibition (binding) = 83 % Inhibition of pig brain TRH-DE at 1 mM using Glp-His-ProAMC as substrate by DPP-4-based continuous fluorometric method PATENT. No reference
Ki (binding) = 69 uM Inhibition of pig brain TRH-DE using Glp-His-ProAMC as substrate by DPP-4-based continuous fluorometric method PATENT. No reference
TDI (binding) Time-dependent inhibition of pig brain TRH-DE using Glp-His-ProAMC as substrate at 400 uM preincubated for 75 mins by DPP-4-based continuous fluorometric method PATENT. No reference

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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