Detailed information for compound 1395338

Basic information

Technical information
  • TDR Targets ID: 1395338
  • Name: (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(2,4-dim ethoxyphenyl)prop-2-enoate
  • MW: 319.352 | Formula: C17H21NO5
  • H donors: 0 H acceptors: 2 LogP: 2.16 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)ccc1/C=C/C(=O)OCC(=O)N1CCCC1
  • InChi: 1S/C17H21NO5/c1-21-14-7-5-13(15(11-14)22-2)6-8-17(20)23-12-16(19)18-9-3-4-10-18/h5-8,11H,3-4,9-10,12H2,1-2H3/b8-6+
  • InChiKey: GANSQURHNOJSGJ-SOFGYWHQSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (2-oxo-2-pyrrolidin-1-yl-ethyl) (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
  • (E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid (2-oxo-2-1-pyrrolidinylethyl) ester
  • (E)-3-(2,4-dimethoxyphenyl)acrylic acid (2-keto-2-pyrrolidin-1-yl-ethyl) ester
  • ZINC03422882
  • T5548999

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
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.1167 0.9891 1
Trichomonas vaginalis fk506-binding protein, putative 0.1167 0.9891 1
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0161 0.125 0.1263
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0161 0.125 0.1263
Trichomonas vaginalis conserved hypothetical protein 0.0161 0.125 0.1263
Echinococcus granulosus FK506 binding protein 2 0.0161 0.125 0.125
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0161 0.125 0.1263
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0161 0.125 0.1263
Echinococcus multilocularis fk506 binding protein 0.1167 0.9891 0.9891
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.117 0.9911 1
Schistosoma mansoni immunophilin 0.118 1 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.118 1 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0161 0.125 0.5
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.1167 0.9891 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0161 0.125 0.5
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.118 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1167 0.9891 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0161 0.125 0.1263
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.1167 0.9891 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0161 0.125 0.1263
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.1167 0.9891 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1167 0.9891 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1167 0.9891 1
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0161 0.125 0.5
Schistosoma mansoni fk506 binding protein 0.0161 0.125 0.125
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.1167 0.9891 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0161 0.125 0.5
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.1167 0.9891 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0161 0.125 0.1263
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.1167 0.9891 0.9891
Loa Loa (eye worm) hypothetical protein 0.1009 0.8533 0.8627
Leishmania major peptidylprolyl isomerase-like protein 0.1167 0.9891 1
Loa Loa (eye worm) FKBP5 protein 0.1167 0.9891 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.1019 0.8621 0.8621
Onchocerca volvulus 0.0163 0.127 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.1167 0.9891 1
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0161 0.125 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0161 0.125 0.1263
Trichomonas vaginalis fk506-binding protein, putative 0.0161 0.125 0.1263
Schistosoma mansoni hypothetical protein 0.0161 0.125 0.125
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.1167 0.9891 1
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0161 0.125 0.5
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0161 0.125 0.1263
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.1167 0.9891 1
Trichomonas vaginalis fk506 binding protein, putative 0.0161 0.125 0.1263
Schistosoma mansoni immunophilin 0.118 1 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.1167 0.9891 0.9976
Trichomonas vaginalis immunophilin, putative 0.1167 0.9891 1
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0161 0.125 0.125
Schistosoma mansoni immunophilin 0.1019 0.8621 0.8621
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.1167 0.9891 1
Onchocerca volvulus 0.0161 0.125 0.9839
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0173 0.1359 0.1359
Trichomonas vaginalis fk506-binding protein, putative 0.0161 0.125 0.1263
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.1019 0.8621 0.8621
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.1167 0.9891 0.9891
Echinococcus multilocularis 0.0161 0.125 0.125
Loa Loa (eye worm) hypothetical protein 0.0161 0.125 0.1263
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.118 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.1167 0.9891 1
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0161 0.125 0.5
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.1167 0.9891 1
Leishmania major fk506-binding protein 1-like protein 0.1167 0.9891 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0161 0.125 0.5
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0161 0.125 0.5
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0161 0.125 0.1263
Trichomonas vaginalis conserved hypothetical protein 0.0161 0.125 0.1263

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.2753 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) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] 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.

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