Detailed information for compound 1588312

Basic information

Technical information
  • TDR Targets ID: 1588312
  • Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-[3- (trifluoromethyl)phenyl]prop-2-enoate
  • MW: 418.409 | Formula: C22H21F3N2O3
  • H donors: 0 H acceptors: 2 LogP: 4.21 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(/C=C/c1cccc(c1)C(F)(F)F)OCC(=O)N1CCN(CC1)c1ccccc1
  • InChi: 1S/C22H21F3N2O3/c23-22(24,25)18-6-4-5-17(15-18)9-10-21(29)30-16-20(28)27-13-11-26(12-14-27)19-7-2-1-3-8-19/h1-10,15H,11-14,16H2/b10-9+
  • InChiKey: UESMUFCTZNXAKV-MDZDMXLPSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
  • 3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester
  • (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester
  • (E)-3-[3-(trifluoromethyl)phenyl]acrylic acid [2-keto-2-(4-phenylpiperazin-1-yl)ethyl] ester
  • 3-[3-(trifluoromethyl)phenyl]acrylic acid [2-keto-2-(4-phenylpiperazin-1-yl)ethyl] ester
  • T5354000
  • ZINC05688951

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
Trichomonas vaginalis AGC family protein kinase 0.0339 0.5912 1
Trichomonas vaginalis CMGC family protein kinase 0.0195 0.242 0.4093
Trichomonas vaginalis AGC family protein kinase 0.0339 0.5912 1
Brugia malayi hypothetical protein 0.0243 0.3589 0.5353
Trichomonas vaginalis CMGC family protein kinase 0.0132 0.0913 0.1545
Giardia lamblia Kinase, CMGC GSK 0.0195 0.242 0.3014
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0195 0.242 0.1658
Leishmania major cyclin 0.0161 0.1615 0.1403
Leishmania major protein kinase, putative 0.0339 0.5912 1
Loa Loa (eye worm) hypothetical protein 0.0507 1 1
Loa Loa (eye worm) AUR protein kinase 0.0339 0.5912 0.5572
Schistosoma mansoni serine/threonine protein kinase 0.0339 0.5912 0.5501
Entamoeba histolytica protein kinase domain containing protein 0.0339 0.5912 1
Entamoeba histolytica protein kinase domain containing protein 0.0195 0.242 0.3014
Trichomonas vaginalis CMGC family protein kinase 0.0195 0.242 0.4093
Loa Loa (eye worm) hypothetical protein 0.0243 0.3589 0.3055
Echinococcus multilocularis cyclin B 0.0161 0.1615 0.0772
Schistosoma mansoni protein kinase 0.0339 0.5912 0.5501
Trypanosoma brucei mitotic cyclin 6 0.0161 0.1615 0.1403
Trichomonas vaginalis CMGC family protein kinase 0.0132 0.0913 0.1545
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0132 0.0913 0.0156
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0339 0.5912 0.5501
Trypanosoma brucei protein kinase, putative 0.0195 0.242 0.3014
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0132 0.0913 0.0156
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0195 0.242 0.3014
Loa Loa (eye worm) AUR protein kinase 0.0339 0.5912 0.5572
Trichomonas vaginalis cyclins, putative 0.0161 0.1615 0.2731
Plasmodium falciparum serine/threonine protein kinase, putative 0.0339 0.5912 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0161 0.1615 0.1403
Trichomonas vaginalis AGC family protein kinase 0.0339 0.5912 1
Trichomonas vaginalis cyclins, putative 0.0161 0.1615 0.2731
Brugia malayi serine/threonine kinase 12 0.0339 0.5912 1
Trichomonas vaginalis cyclin B, putative 0.0161 0.1615 0.2731
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0195 0.242 0.1658
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0339 0.5912 1
Trypanosoma cruzi cyclin, putative 0.0161 0.1615 0.1403
Trichomonas vaginalis cyclin B, putative 0.0161 0.1615 0.2731
Trichomonas vaginalis cyclins, putative 0.0161 0.1615 0.2731
Brugia malayi Cyclin, N-terminal domain containing protein 0.0161 0.1615 0.1403
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0195 0.242 0.3014
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0507 1 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0195 0.242 0.3014
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0339 0.5912 1
Plasmodium falciparum glycogen synthase kinase 3 0.0195 0.242 0.3014
Entamoeba histolytica cyclin, putative 0.0161 0.1615 0.1403
Loa Loa (eye worm) hypothetical protein 0.0161 0.1615 0.0915
Loa Loa (eye worm) cyclin domain-containing protein 0.0308 0.5176 0.4774
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0195 0.242 0.1658
Brugia malayi serine/threonine-protein kinase 6 0.0339 0.5912 1
Trypanosoma cruzi cyclin 6, putative 0.0161 0.1615 0.1403
Plasmodium vivax glycogen synthase kinase 3, putative 0.0195 0.242 0.3014
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0308 0.5176 0.4692
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0308 0.5176 0.4692
Trichomonas vaginalis AGC family protein kinase 0.0339 0.5912 1
Trypanosoma cruzi aurora B kinase, putative 0.0339 0.5912 1
Trypanosoma cruzi cyclin, putative 0.0161 0.1615 0.1403
Giardia lamblia Kinase, CMGC GSK 0.0195 0.242 0.3014
Trichomonas vaginalis CMGC family protein kinase 0.0132 0.0913 0.1545
Loa Loa (eye worm) hypothetical protein 0.0161 0.1615 0.0915
Echinococcus granulosus cyclin B 0.0161 0.1615 0.0772
Schistosoma mansoni cyclin B3 0.0308 0.5176 0.4692
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0195 0.242 0.1788
Trypanosoma brucei aurora B kinase 0.0339 0.5912 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.0161 0.1615 0.1403
Echinococcus granulosus aurora kinase A 0.0339 0.5912 0.5501
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0507 1 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.3589 0.3055
Entamoeba histolytica protein kinase domain containing protein 0.0195 0.242 0.3014
Toxoplasma gondii aurora kinase 0.0339 0.5912 1
Loa Loa (eye worm) AUR protein kinase 0.0339 0.5912 0.5572
Entamoeba histolytica protein kinase, putative 0.0339 0.5912 1
Trichomonas vaginalis cyclin B, putative 0.0161 0.1615 0.2731
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0339 0.5912 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0308 0.5176 0.8528
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0195 0.242 0.1788
Entamoeba histolytica protein kinase , putative 0.0339 0.5912 1
Echinococcus multilocularis protein kinase shaggy 0.0195 0.242 0.1658
Brugia malayi intracellular kinase 0.0195 0.242 0.3014
Giardia lamblia G2/mitotic-specific cyclin B 0.0161 0.1615 0.1403
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0339 0.5912 1
Echinococcus granulosus protein kinase shaggy 0.0195 0.242 0.1658
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0339 0.5912 0.5501
Schistosoma mansoni cyclin B 0.0161 0.1615 0.0772
Giardia lamblia Aurora kinase 0.0339 0.5912 1
Trichomonas vaginalis cyclins, putative 0.0161 0.1615 0.2731
Brugia malayi serine/threonine protein kinase 6 0.0339 0.5912 1
Trichomonas vaginalis cyclin B, putative 0.0161 0.1615 0.2731
Brugia malayi Cyclin, N-terminal domain containing protein 0.0161 0.1615 0.1403
Trichomonas vaginalis cyclin A, putative 0.0161 0.1615 0.2731
Entamoeba histolytica protein kinase, putative 0.0195 0.242 0.3014
Onchocerca volvulus 0.0195 0.242 1
Echinococcus multilocularis aurora kinase A 0.0339 0.5912 0.5501
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0132 0.0913 0.0156
Entamoeba histolytica protein kinase, putative 0.0339 0.5912 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

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