Detailed information for compound 1242798

Basic information

Technical information
  • TDR Targets ID: 1242798
  • Name: N-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pheny lpropanamide
  • MW: 338.4 | Formula: C20H22N2O3
  • H donors: 0 H acceptors: 2 LogP: 3.56 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(c1ccccc1)C(=O)CCn1c(=O)oc2c1cccc2
  • InChi: 1S/C20H22N2O3/c1-2-3-14-21(16-9-5-4-6-10-16)19(23)13-15-22-17-11-7-8-12-18(17)25-20(22)24/h4-12H,2-3,13-15H2,1H3
  • InChiKey: ZEZFJWIJJVTUQG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-phenyl-propanamide
  • N-butyl-3-(2-keto-1,3-benzoxazol-3-yl)-N-phenyl-propionamide
  • C489-0082
  • NCGC00108956-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 1.0558 1 0.5
Loa Loa (eye worm) hypothetical protein 1.0558 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.001 0.001
Entamoeba histolytica hypothetical protein 0.0043 0.0012 0.5
Brugia malayi hypothetical protein 0.0043 0.0012 0.0012
Entamoeba histolytica hypothetical protein 0.0043 0.0012 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0028 0.0028
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0012 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0012 1
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.4148 0.3912 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0028 0.0028
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0012 0.5
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.4148 0.3912 1
Entamoeba histolytica hypothetical protein 0.0043 0.0012 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.0012 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.006 0.0028 0.0028
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0028 0.0028
Leishmania major malonyl-coa decarboxylase-like protein 0.4148 0.3912 1
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.4148 0.3912 1
Entamoeba histolytica hypothetical protein 0.0043 0.0012 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.003 0 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.003 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0708 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 7.3078 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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