Detailed information for compound 1369016

Basic information

Technical information
  • TDR Targets ID: 1369016
  • Name: N-[(2-ethoxyphenyl)methyl]-2-(2-phenylethyl)- 1,3-benzoxazole-6-carboxamide
  • MW: 400.47 | Formula: C25H24N2O3
  • H donors: 1 H acceptors: 2 LogP: 5.12 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1CNC(=O)c1ccc2c(c1)oc(n2)CCc1ccccc1
  • InChi: 1S/C25H24N2O3/c1-2-29-22-11-7-6-10-20(22)17-26-25(28)19-13-14-21-23(16-19)30-24(27-21)15-12-18-8-4-3-5-9-18/h3-11,13-14,16H,2,12,15,17H2,1H3,(H,26,28)
  • InChiKey: UCCCKXWTLVWCGD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-ethoxybenzyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
  • G706-1586
  • NCGC00132991-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Schistosoma mansoni N-myristoyltransferase 0.0173 0.1455 0.1668
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.021 0.1441
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0042 0.0012 0.5
Schistosoma mansoni inositol monophosphatase 0.0042 0.0012 0.0014
Loa Loa (eye worm) hypothetical protein 0.006 0.021 0.1441
Schistosoma mansoni hypothetical protein 0.0371 0.3637 0.417
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0089 0.0089
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0089 0.0103
Mycobacterium tuberculosis Naphthoate synthase MenB (dihydroxynaphthoic acid synthetase) (DHNA synthetase) 0.095 1 0.5
Schistosoma mansoni hypothetical protein 0.0371 0.3637 0.417
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0089 0.0103
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0089 0.0089
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0173 0.1455 0.1657
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0173 0.1455 0.5
Trypanosoma cruzi N-myristoyl transferase, putative 0.0173 0.1455 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0089 0.0089
Trichomonas vaginalis N-myristoyl transferase, putative 0.0173 0.1455 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.0012 0.5
Leishmania major N-myristoyl transferase, putative 0.0173 0.1455 1
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0173 0.1455 0.1657
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0173 0.1455 1
Brugia malayi N-myristoyltransferase 2 0.0173 0.1455 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0089 0.0615
Brugia malayi Inositol-1 0.0042 0.0012 0.0082
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.021 0.1441
Echinococcus granulosus geminin 0.0371 0.3637 0.4162
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8721 1
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0173 0.1455 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0089 0.0089
Trichomonas vaginalis N-myristoyl transferase, putative 0.0114 0.08 0.5465
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.021 0.1441
Loa Loa (eye worm) N-myristoyltransferase 2 0.0173 0.1455 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8721 1
Mycobacterium ulcerans naphthoate synthase 0.095 1 1
Trypanosoma brucei N-myristoyl transferase, putative 0.0173 0.1455 1
Giardia lamblia CDC72 0.0173 0.1455 0.5
Trypanosoma cruzi N-myristoyl transferase, putative 0.0173 0.1455 1
Loa Loa (eye worm) inositol-1 0.0042 0.0012 0.0082
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8721 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0089 0.0615
Trypanosoma brucei N-myristoyltransferase 0.0173 0.1455 1
Echinococcus multilocularis geminin 0.0371 0.3637 0.4162
Schistosoma mansoni inositol monophosphatase 0.0042 0.0012 0.0014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0089 0.0103

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 10 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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