Detailed information for compound 1521724

Basic information

Technical information
  • TDR Targets ID: 1521724
  • Name: N'-(2-cyanophenyl)-N-[3-(2-oxopyrrolidin-1-yl )propyl]oxamide
  • MW: 314.339 | Formula: C16H18N4O3
  • H donors: 2 H acceptors: 4 LogP: 1 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccccc1NC(=O)C(=O)NCCCN1CCCC1=O
  • InChi: 1S/C16H18N4O3/c17-11-12-5-1-2-6-13(12)19-16(23)15(22)18-8-4-10-20-9-3-7-14(20)21/h1-2,5-6H,3-4,7-10H2,(H,18,22)(H,19,23)
  • InChiKey: CHAMGRSXPUKTQM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N'-(2-cyanophenyl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]oxamide
  • N'-(2-cyanophenyl)-N-[3-(2-ketopyrrolidin-1-yl)propyl]oxamide
  • N'-(2-cyanophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanediamide
  • ZINC04583649

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

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
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1295 1 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0441 0.3176 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0441 0.3176 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0156 0.0901 0.5
Brugia malayi Amidase family protein 0.0156 0.0901 0.0901
Trypanosoma brucei monoglyceride lipase, putative 0.0441 0.3176 1
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0156 0.0901 0.5
Mycobacterium tuberculosis Possible lysophospholipase 0.0441 0.3176 0.4064
Trichomonas vaginalis conserved hypothetical protein 0.0441 0.3176 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0441 0.3176 0.5
Mycobacterium tuberculosis 4,9-DHSA hydrolase 0.0857 0.6499 1
Leishmania major monoglyceride lipase, putative 0.0441 0.3176 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0441 0.3176 0.5
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.0871 0.6611 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0156 0.0901 0.0901
Schistosoma mansoni amidase 0.1295 1 1
Plasmodium falciparum lysophospholipase, putative 0.0441 0.3176 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1295 1 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0156 0.0901 0.0901
Plasmodium falciparum esterase, putative 0.0441 0.3176 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.1295 1 1
Brugia malayi putative amidase 0.0156 0.0901 0.0901
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0156 0.0901 0.0901
Mycobacterium ulcerans hypothetical protein 0.0441 0.3176 0.3984
Echinococcus granulosus fatty acid amide hydrolase 1 0.0156 0.0901 0.0901
Brugia malayi Amidase family protein 0.0156 0.0901 0.0901
Echinococcus granulosus fatty acid amide hydrolase 1 0.1295 1 1
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0156 0.0901 0.0901
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0156 0.0901 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0441 0.3176 0.5
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0156 0.0901 0.0901
Schistosoma mansoni fatty-acid amide hydrolase 0.1295 1 1
Plasmodium vivax PST-A protein 0.0441 0.3176 1
Loa Loa (eye worm) hypothetical protein 0.1295 1 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0441 0.3176 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0441 0.3176 0.5
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0441 0.3176 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0441 0.3176 1
Mycobacterium ulcerans lysophospholipase 0.0441 0.3176 0.3984
Trypanosoma brucei monoglyceride lipase, putative 0.0441 0.3176 1
Plasmodium falciparum lysophospholipase, putative 0.0441 0.3176 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0441 0.3176 0.5
Plasmodium falciparum lysophospholipase, putative 0.0441 0.3176 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0441 0.3176 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.2213 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 8.1995 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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