Detailed information for compound 414648

Basic information

Technical information
  • TDR Targets ID: 414648
  • Name: N,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazol e-5-carboxamide
  • MW: 328.405 | Formula: C19H24N2O3
  • H donors: 0 H acceptors: 3 LogP: 4.02 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(=O)c1cnc(o1)C(=O)CCCCCCc1ccccc1)C
  • InChi: 1S/C19H24N2O3/c1-21(2)19(23)17-14-20-18(24-17)16(22)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12,14H,3-4,6,9-10,13H2,1-2H3
  • InChiKey: XWLDAGUABGJRLH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N-dimethyl-2-(7-phenylheptanoyl)oxazole-5-carboxamide
  • N,N-dimethyl-2-(1-oxo-7-phenylheptyl)-5-oxazolecarboxamide

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
Trypanosoma brucei gambiense lipase domain protein, putative 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
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
Schistosoma mansoni fatty-acid amide hydrolase 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
Echinococcus multilocularis fatty acid amide hydrolase 1 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
Loa Loa (eye worm) hypothetical protein 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 fatty acid amide hydrolase 1 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
Leishmania major hypothetical protein, conserved 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
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 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
Leishmania mexicana hypothetical protein, conserved 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
Brugia malayi Lipase family protein 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 cruzi hypothetical protein, conserved Get druggable targets OG5_129115 All targets in OG5_129115
Schistosoma japonicum ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], putative 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
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
Candida albicans hypothetical protein 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
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 sn1 specific diacylglycerol lipase beta Get druggable targets OG5_129115 All targets in OG5_129115
Leishmania braziliensis hypothetical protein, conserved 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
Leishmania donovani Lipase (class 3), 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
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 lipase domain protein, putative 0.0173 0.302 0.4678
Entamoeba histolytica ATP-binding cassette protein, putative 0.0042 0.0303 1
Schistosoma mansoni multidrug resistance protein 0.0042 0.0303 0.0261
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0544 0.088
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0042 0.0303 0.048
Echinococcus multilocularis multidrug resistance associated protein 1 0.0042 0.0303 0.0202
Loa Loa (eye worm) hypothetical protein 0.0123 0.1992 0.2824
Brugia malayi Lipase family protein 0.0173 0.302 0.6135
Giardia lamblia MRP-like ABC transporter 0.0042 0.0303 1
Loa Loa (eye worm) hypothetical protein 0.0261 0.4842 0.7101
Giardia lamblia ABC transporter, putative 0.0042 0.0303 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0042 0.0303 0.048
Leishmania major hypothetical protein, conserved 0.0173 0.302 0.4788
Leishmania major ABC-thiol transporter 0.0042 0.0303 0.048
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.0408 0.0648
Loa Loa (eye worm) lipase 0.0173 0.302 0.4367
Brugia malayi ABC transporter transmembrane region family protein 0.0042 0.0303 0.0367
Echinococcus granulosus importin subunit beta 1 0.0033 0.013 0.0027
Echinococcus multilocularis survival motor neuron protein 1 0.0261 0.4842 0.4788
Entamoeba histolytica multidrug resistance protein, putative 0.0042 0.0303 1
Schistosoma mansoni multidrug resistance protein 0.0042 0.0303 0.0261
Echinococcus multilocularis snurportin 1 0.0354 0.6773 0.674
Entamoeba histolytica ATP-binding cassette protein, putative 0.0042 0.0303 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0042 0.0303 0.028
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0047 0.0408 0.0451
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.1992 0.1908
Giardia lamblia Multidrug resistance-associated protein 1 0.0042 0.0303 1
Toxoplasma gondii hypothetical protein 0.0053 0.055 0.095
Echinococcus granulosus survival motor neuron protein 1 0.0261 0.4842 0.4788
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0042 0.0303 0.048
Loa Loa (eye worm) hypothetical protein 0.0033 0.013 0.0029
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.0829 0.1315
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0042 0.0303 0.028
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0332 0.6308 1
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0173 0.302 0.2947
Loa Loa (eye worm) hypothetical protein 0.0247 0.4556 0.6672
Brugia malayi RNA, U transporter 1 0.0094 0.1396 0.2687
Loa Loa (eye worm) hypothetical protein 0.0042 0.0303 0.0289
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0057 0.062 0.0982
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0042 0.0303 0.048
Brugia malayi multidrug resistance related protein 1 0.0042 0.0303 0.0367
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 0.1992 0.2803
Trypanosoma brucei lipase domain protein, putative 0.0173 0.302 0.4678
Echinococcus multilocularis multidrug resistance associated protein 7 0.0042 0.0303 0.0202
Mycobacterium ulcerans hypothetical protein 0.0175 0.3059 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0175 0.3059 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.1992 0.1908
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0047 0.0408 0.0648
Echinococcus multilocularis neuropeptide s receptor 0.051 1 1
Schistosoma mansoni amidase 0.0123 0.1992 0.2803
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0042 0.0303 0.048
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0829 0.1053
Toxoplasma gondii hypothetical protein 0.0247 0.4556 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0042 0.0303 0.0202
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0042 0.0303 0.048
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.1992 0.1908
Leishmania major p-glycoprotein e 0.0042 0.0303 0.048
Loa Loa (eye worm) hypothetical protein 0.0247 0.4556 0.6672
Plasmodium falciparum importin beta, putative 0.0033 0.013 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0042 0.0303 1
Trichomonas vaginalis lipase containing protein, putative 0.0173 0.302 1
Leishmania major mitochondrial DNA polymerase beta 0.0332 0.6308 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0042 0.0303 1
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.0829 0.1581
Entamoeba histolytica ATP-binding cassette protein, putative 0.0042 0.0303 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0829 0.0734
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0247 0.4556 0.6672
Schistosoma mansoni hypothetical protein 0.0354 0.6773 1
Trypanosoma cruzi hypothetical protein, conserved 0.0173 0.302 0.4788
Entamoeba histolytica ABC transporter, putative 0.0042 0.0303 1
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0829 0.1053
Trypanosoma brucei multidrug resistance protein E 0.0042 0.0303 0.028
Schistosoma mansoni survival motor neuron protein 0.0053 0.0544 0.0624
Entamoeba histolytica hypothetical protein 0.0042 0.0303 1
Trypanosoma cruzi hypothetical protein, conserved 0.0173 0.302 0.4788
Trypanosoma cruzi hypothetical protein 0.0032 0.0103 0.0164
Leishmania major pentamidine resistance protein 1 0.0042 0.0303 0.048
Echinococcus multilocularis neuropeptide receptor A26 0.051 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0332 0.6308 1
Schistosoma mansoni hypothetical protein 0.0053 0.0544 0.0624
Trypanosoma brucei p-glycoprotein 0.0042 0.0303 0.028
Echinococcus granulosus snurportin 1 0.0354 0.6773 0.674
Loa Loa (eye worm) hypothetical protein 0.0247 0.4556 0.6672
Onchocerca volvulus 0.0173 0.302 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0332 0.6308 1
Brugia malayi hypothetical protein 0.0261 0.4842 1
Echinococcus multilocularis importin subunit beta 1 0.0033 0.013 0.0027
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0829 0.0734
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0157 0.2692 0.4268
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0042 0.0303 0.0289
Loa Loa (eye worm) hypothetical protein 0.0041 0.0296 0.0279
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0157 0.2692 0.4268
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.1992 0.1908
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0354 0.6773 1
Schistosoma mansoni multidrug resistance protein 0.0042 0.0303 0.0261
Schistosoma mansoni multidrug resistance protein 0.0042 0.0303 0.0261
Trichomonas vaginalis lipase containing protein, putative 0.0173 0.302 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0042 0.0303 0.0202
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0157 0.2692 0.4147
Echinococcus granulosus neuropeptide receptor A26 0.051 1 1
Plasmodium vivax importin-beta 2, putative 0.0033 0.013 0.5
Brugia malayi amidase 0.0123 0.1992 0.3952
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0042 0.0303 0.048
Loa Loa (eye worm) hypothetical protein 0.0042 0.0303 0.0289
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.0408 0.0648
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0042 0.0303 0.0391
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0173 0.302 0.2947

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) = 2 nM Inhibition of FAAH ChEMBL. 21413808
Ki (binding) = 0.002 uM Inhibition of rat recombinant FAAH expressed in E.coli by [14C]oleamide breakdown ChEMBL. 17279740
Ki (binding) = 0.002 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

3 literature references were collected for this gene.

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