Detailed information for compound 310630

Basic information

Technical information
  • TDR Targets ID: 310630
  • Name: (Z)-1-(5-pyrazin-2-yl-1,3-oxazol-2-yl)octadec -9-en-1-one
  • MW: 411.58 | Formula: C25H37N3O2
  • H donors: 0 H acceptors: 4 LogP: 7.39 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)c1ncc(o1)c1nccnc1
  • InChi: 1S/C25H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(29)25-28-21-24(30-25)22-20-26-18-19-27-22/h9-10,18-21H,2-8,11-17H2,1H3/b10-9-
  • InChiKey: GYIOAVPBRYVOPY-KTKRTIGZSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (Z)-1-(5-pyrazin-2-yloxazol-2-yl)octadec-9-en-1-one
  • (Z)-1-[5-(2-pyrazinyl)-2-oxazolyl]-9-octadecen-1-one
  • (Z)-1-[5-(2-pyrazinyl)-2-oxazolyl]octadec-9-en-1-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Anandamide amidohydrolase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma mansoni amidase Get druggable targets OG5_127783 All targets in OG5_127783
Brugia malayi amidase Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma japonicum ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], putative Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma mansoni fatty-acid amide hydrolase Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus multilocularis fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.7 %
Echinococcus multilocularis fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.3 %
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Anandamide amidohydrolase   579 aa 499 aa 24.6 %
Onchocerca volvulus Anandamide amidohydrolase   579 aa 539 aa 34.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.0461 0.0461
Trichomonas vaginalis glycogen phosphorylase, putative 0.2295 1 1
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0992 0.4278 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.0461 0.0461
Brugia malayi amidase 0.0123 0.0461 0.0461
Schistosoma mansoni glycogen phosphorylase 0.0992 0.4278 0.4278
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 0.0461 0.0461
Schistosoma mansoni amidase 0.0123 0.0461 0.0461
Echinococcus multilocularis glycogen phosphorylase 0.2295 1 1
Entamoeba histolytica glycogen phosphorylase, putative 0.2295 1 1
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0992 0.4278 1
Echinococcus multilocularis glycogen phosphorylase 0.2295 1 1
Schistosoma mansoni glycogen phosphorylase 0.2295 1 1
Giardia lamblia Glycogen phosphorylase 0.2295 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.0992 0.4278 0.4278
Entamoeba histolytica glycogen phosphorylase, putative 0.2295 1 1
Echinococcus multilocularis Glycosyl transferase, family 35 0.2295 1 1
Entamoeba histolytica glycogenphosphorylase, putative 0.0992 0.4278 0.4278
Echinococcus granulosus glycogen phosphorylase 0.2295 1 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.0461 0.0461
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.0461 0.0461
Echinococcus granulosus glycogen phosphorylase 0.2295 1 1
Schistosoma mansoni glycogen phosphorylase 0.2295 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0 0.5
Onchocerca volvulus Glycogen phosphorylase homolog 0.2295 1 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.0461 0.0461
Toxoplasma gondii exonuclease III APE 0.0018 0 0.5
Echinococcus granulosus Glycosyl transferase family 35 0.2295 1 1
Chlamydia trachomatis glycogen phosphorylase 0.2295 1 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Trichomonas vaginalis glycogen phosphorylase, putative 0.2295 1 1
Loa Loa (eye worm) glycogen phosphorylase 0.2295 1 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0992 0.4278 0.4278

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.018 uM Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli ChEMBL. 15771430
Ki (binding) = 0.018 uM Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli ChEMBL. 15771430

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.

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