Detailed information for compound 414089

Basic information

Technical information
  • TDR Targets ID: 414089
  • Name: 1-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-7-phe nylheptan-1-one
  • MW: 363.45 | Formula: C23H25NO3
  • H donors: 0 H acceptors: 2 LogP: 5.86 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1cnc(o1)C(=O)CCCCCCc1ccccc1
  • InChi: 1S/C23H25NO3/c1-26-20-15-13-19(14-16-20)22-17-24-23(27-22)21(25)12-8-3-2-5-9-18-10-6-4-7-11-18/h4,6-7,10-11,13-17H,2-3,5,8-9,12H2,1H3
  • InChiKey: UDHKCBXBANIODD-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[5-(4-methoxyphenyl)oxazol-2-yl]-7-phenyl-heptan-1-one
  • 1-[5-(4-methoxyphenyl)-2-oxazolyl]-7-phenyl-1-heptanone
  • 1-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-7-phenyl-heptan-1-one
  • 1-[5-(4-methoxyphenyl)-2-oxazolyl]-7-phenylheptan-1-one

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Trypanosoma congolense lipase domain protein, putative Get druggable targets OG5_129115 All targets in OG5_129115
Leishmania major hypothetical protein, conserved Get druggable targets OG5_129115 All targets in OG5_129115
Candida albicans hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Trypanosoma congolense lipase domain protein, putative Get druggable targets OG5_129115 All targets in OG5_129115
Trypanosoma brucei gambiense lipase domain protein, putative Get druggable targets OG5_129115 All targets in OG5_129115
Trichomonas vaginalis lipase containing protein, putative Get druggable targets OG5_129115 All targets in OG5_129115
Onchocerca volvulus Get druggable targets OG5_129115 All targets in OG5_129115
Schistosoma mansoni 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
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_129115 All targets in OG5_129115
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
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_129115 All targets in OG5_129115
Trichomonas vaginalis lipase containing protein, putative Get druggable targets OG5_129115 All targets in OG5_129115
Brugia malayi Lipase family protein Get druggable targets OG5_129115 All targets in OG5_129115
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_129115 All targets in OG5_129115
Echinococcus multilocularis fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Loa Loa (eye worm) lipase Get druggable targets OG5_129115 All targets in OG5_129115
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_129115 All targets in OG5_129115
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
Brugia malayi amidase Get druggable targets OG5_127783 All targets in OG5_127783
Leishmania donovani Lipase (class 3), putative Get druggable targets OG5_129115 All targets in OG5_129115
Schistosoma mansoni fatty-acid amide hydrolase 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
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_129115 All targets in OG5_129115
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
Trypanosoma brucei lipase domain protein, putative Get druggable targets OG5_129115 All targets in OG5_129115
Echinococcus granulosus sn1 specific diacylglycerol lipase beta Get druggable targets OG5_129115 All targets in OG5_129115
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta Get druggable targets OG5_129115 All targets in OG5_129115
Trypanosoma brucei lipase domain protein, putative Get druggable targets OG5_129115 All targets in OG5_129115
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

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
Trypanosoma brucei C-8 sterol isomerase, putative 0.037 0.1156 1
Plasmodium falciparum macrophage migration inhibitory factor 0.2342 1 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.0049 0.1592
Leishmania major C-8 sterol isomerase-like protein 0.037 0.1156 0.0909
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0173 0.0272 1
Schistosoma mansoni integrin alpha 0.0148 0.0162 1
Trichomonas vaginalis conserved hypothetical protein 0.2342 1 1
Loa Loa (eye worm) macrophage migration inhibitory factor 0.2342 1 1
Loa Loa (eye worm) hypothetical protein 0.037 0.1156 0.1156
Brugia malayi Integrin alpha pat-2 precursor 0.0148 0.0162 0.0162
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.2342 1 0.5
Brugia malayi ERG2 and Sigma1 receptor like protein 0.037 0.1156 0.1156
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.2342 1 1
Loa Loa (eye worm) lipase 0.0173 0.0272 0.0272
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.0049 0.1592
Leishmania major macrophage migration inhibitory factor-like protein 0.2342 1 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.037 0.1156 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.0049 0.1592
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.2342 1 0.5
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0999 0.3978 0.3978
Onchocerca volvulus 0.0173 0.0272 0.5
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0173 0.0272 1
Loa Loa (eye worm) integrin alpha pat-2 0.0229 0.0522 0.0522
Loa Loa (eye worm) hypothetical protein 0.0116 0.0019 0.0019
Giardia lamblia Macrophage migration inhibitory factor 0.2342 1 0.5
Brugia malayi amidase 0.0123 0.0049 0.0049
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.0049 0.1592
Brugia malayi Lipase family protein 0.0173 0.0272 0.0272
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0999 0.3978 0.3978
Loa Loa (eye worm) hypothetical protein 0.0123 0.0049 0.0049
Leishmania major macrophage migration inhibitory factor-like protein 0.2342 1 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.0345 0.0345
Plasmodium vivax macrophage migration inhibitory factor, putative 0.2342 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 5 Inhibition of full-length human DAGLalpha expressed in HEK293T cell membranes using para-nitrophenylbutyrate by colorimetric assay ChEMBL. 26584396
Ki (binding) = 0.1 uM Inhibition of rat recombinant FAAH expressed in E.coli by [14C]oleamide breakdown ChEMBL. 17279740
Ki (binding) = 0.1 uM Inhibition of rat recombinant FAAH expressed in E.coli by [14C]oleamide breakdown ChEMBL. 17279740
Ki (binding) = 0.1 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

3 literature references were collected for this gene.

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