Detailed information for compound 1166608

Basic information

Technical information
  • TDR Targets ID: 1166608
  • Name: (5Z)-2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[ (4-hydroxyphenyl)methylidene]-1,3-thiazol-4-o ne
  • MW: 383.439 | Formula: C20H18FN3O2S
  • H donors: 1 H acceptors: 2 LogP: 3.79 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccc(cc1)F
  • InChi: 1S/C20H18FN3O2S/c21-15-3-5-16(6-4-15)23-9-11-24(12-10-23)20-22-19(26)18(27-20)13-14-1-7-17(25)8-2-14/h1-8,13,25H,9-12H2/b18-13-
  • InChiKey: PEZKUDLLGKVRNY-AQTBWJFISA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
  • (5Z)-2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-hydroxyphenyl)methylene]thiazol-4-one
  • 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-hydroxyphenyl)methylene]thiazol-4-one
  • 2-[4-(4-fluorophenyl)-1-piperazinyl]-5-[(4-hydroxyphenyl)methylene]-4-thiazolone
  • (5Z)-2-[4-(4-fluorophenyl)-1-piperazinyl]-5-[(4-hydroxyphenyl)methylene]-4-thiazolone
  • (5Z)-2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(4-hydroxybenzylidene)thiazol-4-one
  • 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(4-hydroxybenzylidene)thiazol-4-one
  • ZINC01271220
  • STK113340

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutamate receptor, ionotropic, N-methyl D-aspartate 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum expressed protein Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
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 hypothetical protein 0.0042 0.1775 0.1805
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0029 0.0711 0.0711
Echinococcus granulosus expressed conserved protein 0.0096 0.6033 0.6033
Loa Loa (eye worm) hypothetical protein 0.0054 0.2683 0.3782
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.2188 0.2188
Echinococcus multilocularis protein dispatched 1 0.005 0.2392 0.2392
Schistosoma mansoni patched 1 0.0044 0.1901 0.1964
Echinococcus multilocularis glutamate receptor 2 0.0024 0.0347 0.0347
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0029 0.0711 0.0711
Brugia malayi CHE-14 protein 0.0044 0.1901 0.2516
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.2188 0.2188
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2188 0.2327
Echinococcus multilocularis Niemann Pick C1 protein 0.0146 1 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.6524 1
Schistosoma mansoni hypothetical protein 0.0042 0.1775 0.1805
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.2188 0.2188
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2188 0.2327
Echinococcus multilocularis expressed conserved protein 0.0096 0.6033 0.6033
Echinococcus granulosus Protein patched homolog 1 0.0044 0.1901 0.1901
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.2188 0.2981
Echinococcus granulosus glutamate receptor NMDA 0.0095 0.5976 0.5976
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0029 0.0711 0.0711
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2188 0.2327
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0029 0.0711 0.0711
Brugia malayi Niemann-Pick C1 protein precursor 0.0102 0.6524 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0024 0.0347 0.0347
Echinococcus multilocularis glutamate receptor 2 0.0029 0.0711 0.0711
Echinococcus granulosus nmda type glutamate receptor 0.01 0.634 0.634
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0102 0.6524 0.5
Echinococcus granulosus glutamate receptor 2 0.0029 0.0711 0.0711
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0029 0.0711 0.0711
Echinococcus multilocularis glutamate receptor NMDA 0.0095 0.5976 0.5976
Echinococcus multilocularis nmda type glutamate receptor 0.0104 0.6687 0.6687
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0024 0.0347 0.0347
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0029 0.0711 0.0711
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.1901 0.1901
Echinococcus multilocularis Niemann Pick C1 protein 0.0102 0.6524 0.6524
Schistosoma mansoni hypothetical protein 0.0042 0.1775 0.1805
Echinococcus multilocularis protein patched 0.0044 0.1901 0.1901
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.1901 0.2516
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.1901 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.2188 0.2981
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0104 0.665 0.7963
Loa Loa (eye worm) hypothetical protein 0.0044 0.1901 0.2516
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.2188 0.2188
Schistosoma mansoni hypothetical protein 0.0042 0.1775 0.1805
Echinococcus multilocularis nmda type glutamate receptor 0.01 0.634 0.634
Echinococcus granulosus nmda type glutamate receptor 0.0104 0.6687 0.6687
Schistosoma mansoni glutamate receptor NMDA 0.0124 0.8262 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.1901 0.1901
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0029 0.0711 0.0711
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0029 0.0711 0.0711
Echinococcus granulosus Niemann Pick C1 protein 0.0102 0.6524 0.6524

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 13 uM Antagonist activity at wild type NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of agonist-induced current amplitude by two-electrode voltage-clamp method ChEMBL. 20692832

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

1 literature reference was collected for this gene.

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