Detailed information for compound 830807

Basic information

Technical information
  • TDR Targets ID: 830807
  • Name: N-(2-methoxyethyl)-3-[5-oxo-4-(phenylmethyl)- [1,2,4]triazolo[4,5-a]quinazolin-1-yl]propana mide
  • MW: 405.45 | Formula: C22H23N5O3
  • H donors: 1 H acceptors: 4 LogP: 1.41 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNC(=O)CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1
  • InChi: 1S/C22H23N5O3/c1-30-14-13-23-20(28)12-11-19-24-25-22-26(15-16-7-3-2-4-8-16)21(29)17-9-5-6-10-18(17)27(19)22/h2-10H,11-15H2,1H3,(H,23,28)
  • InChiKey: PUZQABIUERWNJP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[4-(benzyl)-5-keto-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]-N-(2-methoxyethyl)propionamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis tyrosine kinase 0.0144 0.0141 0.0141
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0926 0.5298 0.5298
Brugia malayi Glutamate receptor 1 precursor 0.1496 0.9052 1
Schistosoma mansoni glutamate receptor kainate 0.0783 0.435 0.9218
Echinococcus granulosus metabotropic glutamate receptor 2 0.0144 0.0141 0.0141
Onchocerca volvulus 0.0144 0.0141 1
Loa Loa (eye worm) glutamate receptor 0.0144 0.0141 0.0155
Schistosoma mansoni ATP-binding cassette transporter 0.0695 0.3772 0.7992
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0244 0.0799 0.5
Schistosoma mansoni tyrosine kinase 0.0144 0.0141 0.0298
Loa Loa (eye worm) hypothetical protein 0.0144 0.0141 0.0155
Echinococcus multilocularis glutamate receptor 4 0.0801 0.4474 0.4474
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0144 0.0141 0.0155
Brugia malayi hypothetical protein 0.0144 0.0141 0.0155
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0368 0.162 0.162
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0244 0.0799 0.5
Trypanosoma cruzi extracellular receptor, putative 0.0144 0.0141 0.5
Echinococcus multilocularis glutamate receptor subunit protein glur 0.1082 0.6322 0.6322
Echinococcus granulosus glutamate NMDA receptor subunit 0.075 0.4138 0.4138
Echinococcus granulosus metabotropic glutamate receptor 5 0.0144 0.0141 0.0141
Schistosoma mansoni glutamate receptor NMDA 0.0839 0.4719 1
Entamoeba histolytica hypothetical protein 0.0144 0.0141 0.5
Brugia malayi Glutamate receptor 2 precursor 0.1496 0.9052 1
Echinococcus granulosus nmda type glutamate receptor 0.0524 0.2648 0.2648
Loa Loa (eye worm) RGC/RGC protein kinase 0.0144 0.0141 0.0155
Chlamydia trachomatis glutamine binding protein 0.0244 0.0799 0.5
Loa Loa (eye worm) hypothetical protein 0.0144 0.0141 0.0155
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0144 0.0141 0.0141
Echinococcus multilocularis nmda type glutamate receptor 0.0524 0.2648 0.2648
Schistosoma mansoni metabotropic glutamate receptor 0.0144 0.0141 0.0298
Echinococcus multilocularis receptor type guanylyl cyclase 0.0144 0.0141 0.0141
Loa Loa (eye worm) RGC/RGC protein kinase 0.0144 0.0141 0.0155
Schistosoma mansoni glutamate receptor kainate 0.0695 0.3772 0.7992
Loa Loa (eye worm) hypothetical protein 0.0144 0.0141 0.0155
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0612 0.3226 0.3226
Echinococcus granulosus glutamate receptor 4 0.0801 0.4474 0.4474
Echinococcus multilocularis glutamate receptor 2 0.164 1 1
Brugia malayi Guanylyl cyclase protein 23 0.0144 0.0141 0.0155
Schistosoma mansoni hypothetical protein 0.0281 0.1042 0.2207
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.164 1 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0144 0.0141 0.0141
Echinococcus multilocularis glutamate receptor 2 0.1359 0.8152 0.8152
Loa Loa (eye worm) glutamate receptor 1 0.1496 0.9052 1
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0144 0.0141 0.0141
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0144 0.0141 0.0155
Echinococcus granulosus glutamate receptor 2 0.1359 0.8152 0.8152
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0926 0.5298 0.5298
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0244 0.0799 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0926 0.5298 0.5298
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.075 0.4138 0.4138
Schistosoma mansoni tyrosine kinase 0.0144 0.0141 0.0298
Schistosoma mansoni glutamate receptor AMPA 0.0695 0.3772 0.7992
Brugia malayi Receptor family ligand binding region containing protein 0.0144 0.0141 0.0155
Schistosoma mansoni glutamate receptor kainate 0.0783 0.435 0.9218
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0926 0.5298 0.5298
Leishmania major extracellular receptor, putative 0.0144 0.0141 0.5
Echinococcus granulosus atrial natriuretic peptide receptor 0.0144 0.0141 0.0141
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0926 0.5298 0.5298
Echinococcus granulosus tyrosine kinase 0.0144 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0144 0.0141 0.0155
Schistosoma mansoni glutamate receptor AMPA 0.0695 0.3772 0.7992
Loa Loa (eye worm) hypothetical protein 0.0144 0.0141 0.0155
Loa Loa (eye worm) glutamate receptor 2 0.0695 0.3772 0.4166
Loa Loa (eye worm) hypothetical protein 0.0144 0.0141 0.0155
Brugia malayi Metabotropic glutamate receptor precursor. 0.0144 0.0141 0.0155
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0281 0.1042 0.1042
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0144 0.0141 1
Brugia malayi Receptor family ligand binding region containing protein 0.0144 0.0141 0.0155
Loa Loa (eye worm) hypothetical protein 0.0144 0.0141 0.0155
Schistosoma mansoni protein kinase 0.0144 0.0141 0.0298
Loa Loa (eye worm) hypothetical protein 0.0801 0.4474 0.4942
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0244 0.0799 0.5
Echinococcus granulosus glutamate receptor subunit protein glur 0.1082 0.6322 0.6322
Loa Loa (eye worm) hypothetical protein 0.0801 0.4474 0.4942
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0244 0.0799 0.5
Loa Loa (eye worm) hypothetical protein 0.0144 0.0141 0.0155
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.164 1 1
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0368 0.162 0.162
Schistosoma mansoni metabotropic glutamate receptor 0.0144 0.0141 0.0298
Loa Loa (eye worm) RGC/RGC protein kinase 0.0144 0.0141 0.0155
Onchocerca volvulus 0.0144 0.0141 1
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0368 0.162 0.162
Brugia malayi metabotropic glutamate receptor type 2 0.0144 0.0141 0.0155
Loa Loa (eye worm) hypothetical protein 0.0801 0.4474 0.4942
Echinococcus granulosus glutamate receptor 1 0.0801 0.4474 0.4474
Schistosoma mansoni glutamate receptor NMDA 0.075 0.4138 0.8768
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0281 0.1042 0.1042
Echinococcus multilocularis glutamate receptor 2 0.1496 0.9052 0.9052
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0144 0.0141 0.0155
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0926 0.5298 0.5298
Echinococcus granulosus nmda type glutamate receptor 0.0144 0.0141 0.0141
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0144 0.0141 0.0155
Echinococcus multilocularis nmda type glutamate receptor 0.0144 0.0141 0.0141
Echinococcus granulosus receptor type guanylyl cyclase 0.0144 0.0141 0.0141
Echinococcus multilocularis NMDA receptor 0.0368 0.162 0.162
Loa Loa (eye worm) hypothetical protein 0.0144 0.0141 0.0155

Activities

No activities found for this compound.

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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