Detailed information for compound 516495

Basic information

Technical information
  • TDR Targets ID: 516495
  • Name: 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-o ne
  • MW: 204.225 | Formula: C11H12N2O2
  • H donors: 0 H acceptors: 3 LogP: 2.41 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC(=O)c1nc2c(o1)cccn2
  • InChi: 1S/C11H12N2O2/c1-2-3-5-8(14)11-13-10-9(15-11)6-4-7-12-10/h4,6-7H,2-3,5H2,1H3
  • InChiKey: FBFLUTUPSIYUIG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-oxazolo[4,5-b]pyridin-2-ylpentan-1-one
  • 1-(2-oxazolo[4,5-b]pyridinyl)-1-pentanone
  • 1-(2-oxazolo[4,5-b]pyridinyl)pentan-1-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens diacylglycerol lipase, alpha Starlite/ChEMBL References
Rattus norvegicus Anandamide amidohydrolase Starlite/ChEMBL References
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 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
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
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
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma mansoni 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
Brugia malayi amidase 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 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
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
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
Loa Loa (eye worm) lipase 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
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
Schistosoma mansoni fatty-acid amide hydrolase Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans hypothetical protein 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
Onchocerca volvulus 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 brucei gambiense 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
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
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative 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 %
Onchocerca volvulus Anandamide amidohydrolase   579 aa 539 aa 34.7 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0242 0.0366
Schistosoma mansoni retinoic acid receptor RXR 0.0034 0.0212 0.0212
Brugia malayi bZIP transcription factor family protein 0.0081 0.2376 0.2376
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0242 0.0271
Echinococcus granulosus ecdysone induced protein 78C 0.0034 0.0212 0.0212
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0034 0.0212 0.0212
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0242 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0034 0.0212 0.0212
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0034 0.0212 0.0212
Trypanosoma brucei lipase domain protein, putative 0.0173 0.6608 1
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0212 0.0212
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0034 0.0212 0.0212
Schistosoma mansoni RAR-like nuclear receptor 0.0034 0.0212 0.0212
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0035 0.0242 0.0242
Loa Loa (eye worm) lipase 0.0173 0.6608 0.6608
Schistosoma mansoni thyroid hormone receptor 0.0156 0.5855 0.5855
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0242 0.0242
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1338 0.1338
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0242 0.0271
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0242 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0034 0.0212 0.0212
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0242 0.0271
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0212 0.0212
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0034 0.0212 0.0212
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0212 0.0212
Trypanosoma brucei lipase domain protein, putative 0.0173 0.6608 1
Echinococcus multilocularis jun protein 0.0081 0.2376 0.2376
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0246 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0173 0.6608 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0034 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0034 0.0212 0.0212
Brugia malayi Lipase family protein 0.0173 0.6608 0.6608
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0242 0.0271
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0242 0.0242
Brugia malayi nuclear hormone receptor 0.0034 0.0212 0.0212
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0212 0.0212
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0212 0.0212
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0034 0.0212 0.0212
Trichomonas vaginalis lipase containing protein, putative 0.0173 0.6608 1
Loa Loa (eye worm) steroid hormone receptor 0.0034 0.0212 0.0212
Loa Loa (eye worm) beta-lactamase 0.0035 0.0242 0.0242
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0034 0.0212 0.0212
Leishmania major hypothetical protein, conserved 0.0173 0.6608 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0246 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0034 0.0212 0.0212
Brugia malayi hypothetical protein 0.0064 0.1571 0.1571
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0034 0.0212 0.0212
Schistosoma mansoni hypothetical protein 0.005 0.0936 0.0936
Loa Loa (eye worm) hypothetical protein 0.0034 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0035 0.0242 0.0242
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0212 0.0212
Brugia malayi ecdysteroid receptor 0.0034 0.0212 0.0212
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.4271 0.4271
Brugia malayi Steroid receptor seven-up type 2 0.0034 0.0212 0.0212
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0034 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0034 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0246 1 1
Schistosoma mansoni amidase 0.0246 1 1
Schistosoma mansoni hypothetical protein 0.0164 0.619 0.619
Mycobacterium tuberculosis Conserved protein 0.0035 0.0242 0.0271
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0173 0.6608 0.6608
Loa Loa (eye worm) hypothetical protein 0.0035 0.0242 0.0242
Leishmania major hypothetical protein, conserved 0.0035 0.0242 0.0366
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1338 1
Brugia malayi beta-lactamase 0.0035 0.0242 0.0242
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0242 0.181
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0034 0.0212 0.0212
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1338 0.1338
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0034 0.0212 0.0212
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0242 0.0271
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0242 0.0271
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.8939 1
Echinococcus granulosus FTZ F1 alpha 0.0034 0.0212 0.0212
Echinococcus multilocularis geminin 0.0164 0.619 0.619
Trypanosoma cruzi hypothetical protein, conserved 0.0173 0.6608 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0242 0.0242
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0242 0.0242
Schistosoma mansoni steroid hormone receptor ad4bp 0.0034 0.0212 0.0212
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.003 0 0.5
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0242 0.0271
Mycobacterium tuberculosis Conserved protein 0.0035 0.0242 0.0271
Brugia malayi nuclear receptor NHR-88 0.0034 0.0212 0.0212
Echinococcus granulosus fatty acid amide hydrolase 1 0.0246 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0034 0.0212 0.0212
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0173 0.6608 0.6608
Loa Loa (eye worm) hypothetical protein 0.0035 0.0242 0.0242
Brugia malayi beta-lactamase family protein 0.0035 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0035 0.0242 0.0242
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0081 0.2376 0.2376
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0242 0.0366
Brugia malayi photoreceptor-specific nuclear receptor 0.0034 0.0212 0.0212
Onchocerca volvulus 0.0035 0.0242 0.0047
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0212 0.0212
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1338 0.1338
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0034 0.0212 0.0212
Onchocerca volvulus 0.0173 0.6608 1
Schistosoma mansoni thyroid hormone receptor 0.0156 0.5855 0.5855
Schistosoma mansoni fatty-acid amide hydrolase 0.0246 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0034 0.0212 0.0212
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0212 0.0212
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0212 0.0212
Mycobacterium ulcerans hypothetical protein 0.0035 0.0242 0.181
Schistosoma mansoni nuclear hormone receptor 0.0034 0.0212 0.0212
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.4271 0.4271
Loa Loa (eye worm) hypothetical protein 0.0079 0.2273 0.2273
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1338 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0034 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0035 0.0242 0.0242
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0034 0.0212 0.0212
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0034 0.0212 0.0212
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0034 0.0212 0.0212
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0034 0.0212 0.0212
Mycobacterium ulcerans beta-lactamase 0.0035 0.0242 0.181
Schistosoma mansoni hypothetical protein 0.0066 0.1674 0.1674
Echinococcus granulosus jun protein 0.0081 0.2376 0.2376
Mycobacterium leprae Probable lipase LipE 0.0035 0.0242 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0034 0.0212 0.0212
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0212 0.0212
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0081 0.2376 0.2376
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0242 0.0366
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0034 0.0212 0.0212
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0242 0.181
Schistosoma mansoni hypothetical protein 0.0164 0.619 0.619
Echinococcus multilocularis ecdysone induced protein 78C 0.0034 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0034 0.0212 0.0212
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1338 0.1338
Mycobacterium ulcerans lipase LipD 0.0035 0.0242 0.181
Onchocerca volvulus 0.0035 0.0242 0.0047
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1338 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0034 0.0212 0.0212
Schistosoma mansoni coup transcription factor 0.0034 0.0212 0.0212
Trichomonas vaginalis lipase containing protein, putative 0.0173 0.6608 1
Brugia malayi beta-lactamase family protein 0.0035 0.0242 0.0242
Echinococcus granulosus geminin 0.0164 0.619 0.619
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0034 0.0212 0.0212
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1338 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0246 1 1
Schistosoma mansoni jun-related protein 0.0066 0.1674 0.1674
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1338 0.2025
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0034 0.0212 0.0212
Onchocerca volvulus 0.0035 0.0242 0.0047
Echinococcus multilocularis FTZ F1 alpha 0.0034 0.0212 0.0212
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0034 0.0212 0.0212
Onchocerca volvulus 0.0064 0.1571 0.2124
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0034 0.0212 0.0212
Echinococcus multilocularis thyroid hormone receptor alpha 0.0156 0.5855 0.5855
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0034 0.0212 0.0212
Brugia malayi steroid hormone receptor 0.0034 0.0212 0.0212
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0212 0.0212
Mycobacterium tuberculosis Conserved protein 0.0035 0.0242 0.0271
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0242 0.0242
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.1338 0.1497
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.003 0 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0034 0.0212 0.0212
Schistosoma mansoni hypothetical protein 0.0122 0.4271 0.4271

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) = 50 nM Inhibition of rat FAAH ChEMBL. 18053726
Ki (binding) = 50 nM Inhibition of rat FAAH ChEMBL. 18053726
Ki (binding) = 0.05 uM Inhibition of FAAH ChEMBL. 21764305

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.