Detailed information for compound 1233785

Basic information

Technical information
  • TDR Targets ID: 1233785
  • Name: (Z)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3- yl]-3-phenylprop-2-enamide
  • MW: 336.384 | Formula: C20H20N2O3
  • H donors: 1 H acceptors: 2 LogP: 2.43 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1CC(CC1=O)NC(=O)/C=C\c1ccccc1
  • InChi: 1S/C20H20N2O3/c1-25-18-10-8-17(9-11-18)22-14-16(13-20(22)24)21-19(23)12-7-15-5-3-2-4-6-15/h2-12,16H,13-14H2,1H3,(H,21,23)/b12-7-
  • InChiKey: IHSZOPUPANBFGN-GHXNOFRVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (Z)-N-[1-(4-methoxyphenyl)-5-oxo-pyrrolidin-3-yl]-3-phenyl-prop-2-enamide
  • (Z)-N-[1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-3-phenylprop-2-enamide
  • (Z)-N-[5-keto-1-(4-methoxyphenyl)pyrrolidin-3-yl]-3-phenyl-acrylamide
  • G856-7403
  • NCGC00136440-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain 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
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0388 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0388 1 1
Echinococcus granulosus c-Jun N-terminal kinases 0.0203 0.3285 0.3285
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0388 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0388 1 1
Plasmodium falciparum aldehyde reductase, putative 0.0112 0 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0388 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0388 1 1
Echinococcus multilocularis aldehyde reductase 0.0275 0.5922 0.5922
Mycobacterium leprae Conserved hypothetical protein 0.0275 0.5922 0.5922
Loa Loa (eye worm) oxidoreductase 0.0388 1 1
Echinococcus multilocularis aldo keto reductase 0.0388 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0388 1 1
Loa Loa (eye worm) oxidoreductase 0.0388 1 1
Echinococcus granulosus aldehyde reductase 0.0275 0.5922 0.5922
Toxoplasma gondii aldose reductase, putative 0.0388 1 1
Schistosoma mansoni aldo-keto reductase 0.0388 1 1
Giardia lamblia Aldose reductase 0.0388 1 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0388 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0388 1 1
Entamoeba histolytica aldose reductase, putative 0.0388 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0388 1 1
Giardia lamblia Aldose reductase 0.0388 1 0.5
Schistosoma mansoni pol-related 0.0388 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0388 1 1
Echinococcus granulosus aldo keto reductase 0.0388 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0388 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0388 1 1
Loa Loa (eye worm) oxidoreductase 0.0388 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0388 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0388 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0388 1 1
Onchocerca volvulus 0.0388 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0388 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0388 1 1
Brugia malayi Stress-activated protein kinase jnk-1 0.0203 0.3285 0.3285
Echinococcus multilocularis aldo keto reductase 0.0388 1 1
Loa Loa (eye worm) hypothetical protein 0.0388 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0388 1 1
Mycobacterium ulcerans oxidoreductase 0.0388 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0388 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0388 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0388 1 1
Trypanosoma cruzi aldo-keto reductase 0.0388 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0388 1 1
Leishmania major prostaglandin f synthase, putative 0.0388 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0388 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0388 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0388 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0388 1 1
Leishmania major aldo-keto reductase-like protein 0.0388 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0388 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0388 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0388 1 1
Echinococcus granulosus hypothetical protein 0.0388 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0388 1 1
Echinococcus multilocularis aldo keto reductase 0.0388 1 1
Echinococcus granulosus aldo keto reductase 0.0388 1 1
Entamoeba histolytica aldose reductase, putative 0.0388 1 1
Entamoeba histolytica aldose reductase, putative 0.0388 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0388 1 1
Schistosoma mansoni aldo-keto reductase 0.0388 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0388 1 1
Plasmodium vivax aldehyde reductase, putative 0.0112 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0388 1 1
Loa Loa (eye worm) oxidoreductase 0.0388 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0388 1 1
Onchocerca volvulus 0.0388 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0388 1 1
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0203 0.3285 0.3285
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0388 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0388 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0388 1 1
Onchocerca volvulus 0.0388 1 1
Echinococcus granulosus aldo keto reductase 0.0388 1 1
Echinococcus multilocularis aldo keto reductase 0.0388 1 1
Onchocerca volvulus 0.0388 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0388 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0388 1 1
Onchocerca volvulus 0.0388 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0388 1 1
Trypanosoma brucei prostaglandin f synthase 0.0388 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0388 1 1
Onchocerca volvulus 0.0388 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0388 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0388 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0203 0.3285 0.3285
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0112 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0388 1 1
Loa Loa (eye worm) oxidoreductase 0.0388 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0388 1 1
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0203 0.3285 0.3285
Plasmodium falciparum aldo-keto reductase, putative 0.0112 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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