Detailed information for compound 413408

Basic information

Technical information
  • TDR Targets ID: 413408
  • Name: methyl 3-[2-(7-phenylheptanoyl)-1,3-oxazol-5- yl]benzoate
  • MW: 391.46 | Formula: C24H25NO4
  • H donors: 0 H acceptors: 3 LogP: 5.74 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cccc(c1)c1cnc(o1)C(=O)CCCCCCc1ccccc1
  • InChi: 1S/C24H25NO4/c1-28-24(27)20-14-9-13-19(16-20)22-17-25-23(29-22)21(26)15-8-3-2-5-10-18-11-6-4-7-12-18/h4,6-7,9,11-14,16-17H,2-3,5,8,10,15H2,1H3
  • InChiKey: NLMLYHBPAHKJHY-UHFFFAOYSA-N  

Network

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Synonyms

  • methyl 3-[2-(7-phenylheptanoyl)oxazol-5-yl]benzoate
  • 3-[2-(1-oxo-7-phenylheptyl)-5-oxazolyl]benzoic acid methyl ester
  • 3-[2-(7-phenylheptanoyl)oxazol-5-yl]benzoic acid methyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens fatty acid amide hydrolase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma mansoni 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
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
Candida albicans hypothetical protein 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
Brugia malayi amidase 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
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
Echinococcus multilocularis fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans hypothetical protein 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 japonicum ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], putative 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
Loa Loa (eye worm) hypothetical protein 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
Leishmania major hypothetical protein, conserved fatty acid amide hydrolase 579 aa 471 aa 26.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis SWI:SNF matrix associated 0.033 0.9345 0.9345
Echinococcus multilocularis tumor protein p63 0.0344 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.033 0.9345 1
Schistosoma mansoni hypothetical protein 0.033 0.9345 1
Onchocerca volvulus 0.033 0.9345 1
Leishmania major hypothetical protein, conserved 0.0117 0 0.5
Schistosoma mansoni hypothetical protein 0.033 0.9345 1
Brugia malayi brahma associated protein 60 kDa 0.033 0.9345 1
Schistosoma mansoni amidase 0.0123 0.0258 0.0276
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.033 0.9345 1
Echinococcus multilocularis SWI:SNF matrix associated 0.033 0.9345 0.9345
Trypanosoma cruzi WLM domain containing protein, putative 0.0117 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.033 0.9345 0.5
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.033 0.9345 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.033 0.9345 0.9345
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0117 0 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.033 0.9345 1
Schistosoma mansoni hypothetical protein 0.033 0.9345 1
Trypanosoma brucei hypothetical protein, conserved 0.0117 0 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.0258 0.0258
Plasmodium vivax hypothetical protein, conserved 0.033 0.9345 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0117 0 0.5
Leishmania major hypothetical protein, conserved 0.0117 0 0.5
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0117 0 0.5
Leishmania major hypothetical protein, conserved 0.0117 0 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.033 0.9345 0.9345
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.033 0.9345 0.9345
Chlamydia trachomatis DNA topoisomerase I 0.033 0.9345 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0117 0 0.5
Brugia malayi amidase 0.0123 0.0258 0.0276
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.0258 0.0258
Trypanosoma brucei hypothetical protein, conserved 0.0117 0 0.5
Brugia malayi SWIB/MDM2 domain containing protein 0.033 0.9345 1
Leishmania major hypothetical protein, conserved 0.0117 0 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.0258 0.0258
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0 0.5
Schistosoma mansoni brg-1 associated factor 0.033 0.9345 1
Chlamydia trachomatis SWIB complex protein 0.033 0.9345 0.5
Echinococcus granulosus SWI:SNF matrix associated 0.033 0.9345 0.9345
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.0258 0.0258
Trypanosoma cruzi WLM domain containing protein, putative 0.0117 0 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0117 0 0.5
Loa Loa (eye worm) brahma associated protein 0.033 0.9345 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.033 0.9345 0.5
Leishmania major hypothetical protein, conserved 0.0117 0 0.5
Brugia malayi brahma associated protein 60 kDa 0.033 0.9345 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 0.0258 0.0276
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0123 0.0258 0.0276
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0117 0 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.033 0.9345 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0117 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.012 uM Inhibition of rat recombinant FAAH expressed in E.coli by [14C]oleamide breakdown ChEMBL. 17279740
Ki (binding) = 0.012 uM Inhibition of rat recombinant FAAH expressed in E.coli by [14C]oleamide breakdown ChEMBL. 17279740
Ki (binding) = 0.012 uM Inhibition of FAAH ChEMBL. 18983142

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

2 literature references were collected for this gene.

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