Detailed information for compound 414312

Basic information

Technical information
  • TDR Targets ID: 414312
  • Name: 7-phenyl-1-[5-[4-(2,2,2-trifluoroacetyl)pheny l]-1,3-oxazol-2-yl]heptan-1-one
  • MW: 429.432 | Formula: C24H22F3NO3
  • H donors: 0 H acceptors: 3 LogP: 6.69 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ncc(o1)c1ccc(cc1)C(=O)C(F)(F)F)CCCCCCc1ccccc1
  • InChi: 1S/C24H22F3NO3/c25-24(26,27)22(30)19-14-12-18(13-15-19)21-16-28-23(31-21)20(29)11-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-10,12-16H,1-2,4,7-8,11H2
  • InChiKey: PXPNASDGWRDRRC-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 7-phenyl-1-[5-[4-(2,2,2-trifluoroacetyl)phenyl]oxazol-2-yl]heptan-1-one
  • 7-phenyl-1-[5-[4-(2,2,2-trifluoro-1-oxoethyl)phenyl]-2-oxazolyl]-1-heptanone
  • 7-phenyl-1-[5-[4-(2,2,2-trifluoroethanoyl)phenyl]-1,3-oxazol-2-yl]heptan-1-one
  • 7-phenyl-1-[5-[4-(2,2,2-trifluoro-1-oxoethyl)phenyl]-2-oxazolyl]heptan-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
Leishmania mexicana 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
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus granulosus sn1 specific diacylglycerol lipase beta Get druggable targets OG5_129115 All targets in OG5_129115
Schistosoma mansoni amidase Get druggable targets OG5_127783 All targets in OG5_127783
Trichomonas vaginalis lipase containing 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
Onchocerca volvulus Get druggable targets OG5_129115 All targets in OG5_129115
Trypanosoma congolense lipase domain protein, putative Get druggable targets OG5_129115 All targets in OG5_129115
Trypanosoma congolense 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
Leishmania major 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
Loa Loa (eye worm) 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
Trypanosoma brucei lipase domain protein, putative 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
Echinococcus granulosus fatty acid amide hydrolase 1 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 brucei lipase domain protein, putative Get druggable targets OG5_129115 All targets in OG5_129115
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
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
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
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative 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
Schistosoma mansoni fatty-acid amide hydrolase 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
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
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
Trichomonas vaginalis lipase containing protein, putative 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

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 granulosus sn1 specific diacylglycerol lipase beta 0.0173 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi AKH receptor 0.0036 0.0917 0.0917
Brugia malayi G protein-coupled receptor 0.0036 0.0917 0.0917
Trichomonas vaginalis lipase containing protein, putative 0.0173 1 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Trypanosoma brucei lipase domain protein, putative 0.0173 1 1
Brugia malayi Serotonin receptor 0.0036 0.0917 0.0917
Brugia malayi RE15519p 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi G-protein coupled receptor 0.0036 0.0917 0.0917
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 0.6692 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0036 0.0917 0.0917
Brugia malayi hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Leishmania major hypothetical protein, conserved 0.0173 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Trypanosoma cruzi hypothetical protein, conserved 0.0173 1 1
Brugia malayi putative neuropeptide receptor 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0173 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.6692 0.6358
Brugia malayi larval opioid receptor 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0036 0.0917 0.0917
Brugia malayi hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) lipase 0.0173 1 1
Brugia malayi Dopamine receptor protein 1 0.0036 0.0917 0.0917
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0036 0.0917 0.0917
Brugia malayi Melatonin receptor type 1A 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi GnHR receptor homolog 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi neuropeptide F receptor 0.0036 0.0917 0.0917
Loa Loa (eye worm) G-protein coupled receptor 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Onchocerca volvulus 0.0173 1 1
Brugia malayi amidase 0.0123 0.6692 0.6692
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.6692 0.6358
Loa Loa (eye worm) melatonin receptor type 1A 0.0036 0.0917 0.0917
Brugia malayi Serotonin receptor 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Trypanosoma brucei lipase domain protein, putative 0.0173 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.6692 0.6358
Brugia malayi follicle stimulating hormone receptor 0.0036 0.0917 0.0917
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.068 0.068
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) TYRA-2 protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) neuropeptide F receptor 0.0036 0.0917 0.0917
Brugia malayi sulfakinin receptor protein 0.0036 0.0917 0.0917
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.6692 0.6358
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0036 0.0917 0.0917
Schistosoma mansoni amidase 0.0123 0.6692 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi Dopamine receptor 0.0036 0.0917 0.0917
Brugia malayi ORL1-like opioid receptor 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi Tachykinin-like peptides receptor 99D 0.0036 0.0917 0.0917
Brugia malayi G-protein coupled receptor 0.0036 0.0917 0.0917
Brugia malayi hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi Cytochrome P450 family protein 0.0033 0.068 0.068
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0036 0.0917 0.0917
Brugia malayi putative neuropeptide receptor NPR1 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Trypanosoma cruzi hypothetical protein, conserved 0.0173 1 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.6692 0.6692
Loa Loa (eye worm) neuropeptide F receptor 0.0036 0.0917 0.0917
Brugia malayi hypothetical protein 0.0036 0.0917 0.0917
Trichomonas vaginalis lipase containing protein, putative 0.0173 1 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi neuropeptide F receptor 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi Dopamine receptor protein 2 0.0036 0.0917 0.0917
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0036 0.0917 0.0917
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0036 0.0917 0.0917
Brugia malayi hypothetical protein 0.0036 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0036 0.0917 0.0917
Brugia malayi hypothetical protein 0.0036 0.0917 0.0917

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) = 0.065 uM Inhibition of rat recombinant FAAH expressed in E.coli by [14C]oleamide breakdown ChEMBL. 17279740
Ki (binding) = 0.065 uM Inhibition of rat recombinant FAAH expressed in E.coli by [14C]oleamide breakdown ChEMBL. 17279740

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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