Detailed information for compound 224838

Basic information

Technical information
  • TDR Targets ID: 224838
  • Name: benzyl N-[1-(2-formylpyrrolidin-1-yl)-3-methy l-1-oxobutan-2-yl]carbamate
  • MW: 332.394 | Formula: C18H24N2O4
  • H donors: 1 H acceptors: 3 LogP: 2.39 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CC1CCCN1C(=O)C(C(C)C)NC(=O)OCc1ccccc1
  • InChi: 1S/C18H24N2O4/c1-13(2)16(17(22)20-10-6-9-15(20)11-21)19-18(23)24-12-14-7-4-3-5-8-14/h3-5,7-8,11,13,15-16H,6,9-10,12H2,1-2H3,(H,19,23)
  • InChiKey: QRONLDFFPZYHDZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • benzyl N-[1-(2-formylpyrrolidine-1-carbonyl)-2-methyl-propyl]carbamate
  • N-[1-[(2-formyl-1-pyrrolidinyl)-oxomethyl]-2-methylpropyl]carbamic acid benzyl ester
  • phenylmethyl N-[1-(2-methanoylpyrrolidin-1-yl)-3-methyl-1-oxo-butan-2-yl]carbamate
  • N-[1-(2-formylpyrrolidine-1-carbonyl)-2-methyl-propyl]carbamic acid benzyl ester
  • phenylmethyl N-[1-(2-formylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
  • phenylmethyl N-[1-(2-formylpyrrolidine-1-carbonyl)-2-methyl-propyl]carbamate
  • N-[1-[(2-formyl-1-pyrrolidinyl)-oxomethyl]-2-methylpropyl]carbamic acid phenylmethyl ester

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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4104 0.7084
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.4104 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.4104 0.4104
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0022 0.1667 0.1667
Entamoeba histolytica hypothetical protein 0.0038 0.3267 1
Entamoeba histolytica hypothetical protein 0.0038 0.3267 1
Echinococcus multilocularis leucyl aminopeptidase 0.0022 0.1667 0.1667
Echinococcus granulosus leucine aminopeptidase protein 0.0109 1 1
Mycobacterium ulcerans leucyl aminopeptidase 0.0109 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.3267 0.5639
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.5793 0.5793
Entamoeba histolytica hypothetical protein 0.0038 0.3267 1
Echinococcus multilocularis leucyl aminopeptidase 0.0022 0.1667 0.1667
Onchocerca volvulus 0.0004 0 0.5
Trichomonas vaginalis calcineurin B subunit, putative 0.0004 0 0.5
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0022 0.1667 0.4063
Echinococcus granulosus leucyl aminopeptidase 0.0022 0.1667 0.1667
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.5793 0.5793
Schistosoma mansoni hypothetical protein 0.0038 0.3267 0.5639
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0109 1 1
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0022 0.1667 0.1667
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0022 0.1667 0.1667
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.4104 0.4104
Echinococcus multilocularis leucyl aminopeptidase 0.0022 0.1667 0.1667
Toxoplasma gondii leucyl aminopeptidase LAP 0.0109 1 1
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0109 1 1
Brugia malayi hypothetical protein 0.0038 0.3267 0.796
Brugia malayi cytosol aminopeptidase 0.0022 0.1667 0.4063
Echinococcus granulosus ankyrin repeat domain containing protein 17 0.0022 0.1667 0.1667
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.5793 0.5793
Brugia malayi Aminopeptidase W07G4.4 in chromosome V 0.0022 0.1667 0.4063
Plasmodium falciparum M17 leucyl aminopeptidase 0.0109 1 0.5
Giardia lamblia Hypothetical protein 0.0004 0 0.5
Loa Loa (eye worm) aminopeptidase in chromosome III 0.0022 0.1667 0.4063
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.4104 1
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0109 1 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0022 0.1667 0.1667
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4104 0.7084
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0109 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.4104 0.4104
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0022 0.1667 0.1667
Schistosoma mansoni leucine aminopeptidase 0.0022 0.1667 0.2878
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.4104 0.4104
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4104 0.7084
Echinococcus granulosus leucyl aminopeptidase 0.0022 0.1667 0.1667
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.3267 0.3267
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.0022 0.1667 0.2878
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0022 0.1667 0.1667
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0109 1 0.5
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0109 1 1
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0109 1 1
Loa Loa (eye worm) aminopeptidase in chromosome V 0.0022 0.1667 0.4063
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0109 1 0.5
Brugia malayi Aminopeptidase ZK353.6 in chromosome III 0.0022 0.1667 0.4063
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.5793 0.5793
Trypanosoma brucei aminopeptidase, putative 0.0022 0.1667 0.1667
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.5793 1
Entamoeba histolytica hypothetical protein 0.0038 0.3267 1
Echinococcus multilocularis leucine aminopeptidase protein 0.0109 1 1
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0022 0.1667 0.1667
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.3267 0.3267
Trichomonas vaginalis calmodulin, putative 0.0004 0 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.5793 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 1000 nM Inhibition of Calpain 1 by [3H]-acetyl-casein assay ChEMBL. 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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