Detailed information for compound 792365

Basic information

Technical information
  • TDR Targets ID: 792365
  • Name: N-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[3 ,4-c]quinoxalin-4-amine
  • MW: 309.753 | Formula: C16H12ClN5
  • H donors: 1 H acceptors: 3 LogP: 4.4 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)Cl)Nc1nc2ccccc2n2c1nnc2
  • InChi: 1S/C16H12ClN5/c1-10-6-7-12(11(17)8-10)19-15-16-21-18-9-22(16)14-5-3-2-4-13(14)20-15/h2-9H,1H3,(H,19,20)
  • InChiKey: PZEDTUSCOBZDNT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-chloro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-c]quinoxalin-4-amine
  • (2-chloro-4-methyl-phenyl)-([1,2,4]triazolo[3,4-c]quinoxalin-4-yl)amine
  • ZINC04622478
  • A3758/0159349
  • [1,2,4]Triazolo[4,3-a]quinoxalin-4-amine, N-(2-chloro-4-methylphenyl)-

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 Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
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 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.5432 1
Echinococcus multilocularis Niemann Pick C1 protein 0.017 1 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.5432 0.5432
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.5596 1
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.5432 0.1238
Loa Loa (eye worm) acetylcholinesterase 1 0.0114 0.5008 0.9194
Echinococcus multilocularis acetylcholinesterase 0.0114 0.5008 0.5008
Brugia malayi Carboxylesterase family protein 0.0114 0.5008 0.9194
Echinococcus multilocularis carboxylesterase 5A 0.0114 0.5008 0.5008
Echinococcus granulosus carboxylesterase 5A 0.0114 0.5008 0.0426
Brugia malayi Carboxylesterase family protein 0.0114 0.5008 0.9194
Loa Loa (eye worm) hypothetical protein 0.0114 0.5008 0.9194
Echinococcus multilocularis acetylcholinesterase 0.0114 0.5008 0.5008
Loa Loa (eye worm) hypothetical protein 0.0062 0.0382 0.0392
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.5432 0.5
Loa Loa (eye worm) carboxylesterase 0.0114 0.5008 0.9194
Echinococcus granulosus acetylcholinesterase 0.0114 0.5008 0.0426
Echinococcus multilocularis expressed conserved protein 0.0112 0.4786 0.4786
Echinococcus granulosus acetylcholinesterase 0.0114 0.5008 0.0426
Loa Loa (eye worm) hypothetical protein 0.0119 0.5432 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.5008 0.9194

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.5012 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7943 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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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