Detailed information for compound 115573

Basic information

Technical information
  • TDR Targets ID: 115573
  • Name: N-(1-ethyl-8-fluoro-[1,2,4]triazolo[4,3-a]qui noxalin-4-yl)acetamide
  • MW: 273.266 | Formula: C13H12FN5O
  • H donors: 1 H acceptors: 4 LogP: 1.97 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nnc2n1c1cc(F)ccc1nc2NC(=O)C
  • InChi: 1S/C13H12FN5O/c1-3-11-17-18-13-12(15-7(2)20)16-9-5-4-8(14)6-10(9)19(11)13/h4-6H,3H2,1-2H3,(H,15,16,20)
  • InChiKey: ZIQYSNCKAQKASF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1-ethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamide
  • N-(1-ethyl-8-fluoro-[1,2,4]triazolo[3,4-c]quinoxalin-4-yl)acetamide
  • N-(1-ethyl-8-fluoro-[1,2,4]triazolo[3,4-c]quinoxalin-4-yl)ethanamide

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
Schistosoma mansoni hypothetical protein 0.0168 0.1183 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0047 0.0047
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0012 0.5
Schistosoma mansoni DNA polymerase eta 0.0044 0.0211 0.1697
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0047 0.0335
Giardia lamblia DINP protein human, muc B family 0.0019 0.0012 0.5
Echinococcus multilocularis thymidine phosphorylase 0.1291 1 1
Leishmania major DNA polymerase eta, putative 0.0031 0.0107 0.4775
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0365 0.2724 0.2724
Echinococcus multilocularis geminin 0.0168 0.1183 0.1172
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0211 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0047 0.1731
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0047 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0047 0.1731
Onchocerca volvulus 0.015 0.104 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0 0.5
Brugia malayi hypothetical protein 0.015 0.104 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0012 0.5
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1291 1 1
Echinococcus multilocularis dna polymerase eta 0.0044 0.0211 0.0199
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0047 0.0047
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0047 0.0047
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0047 0.0047
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0211 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0047 0.0047
Echinococcus granulosus dna polymerase eta 0.0044 0.0211 0.0199
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0365 0.2724 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0047 0.0047
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0365 0.2724 0.2724
Loa Loa (eye worm) hypothetical protein 0.0024 0.0047 0.0449
Plasmodium falciparum acyl-CoA synthetase 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.015 0.104 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0107 0.4775
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0047 0.0047
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0107 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0047 0.0047
Schistosoma mansoni hypothetical protein 0.0168 0.1183 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.0047 0.0047
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0012 0.0012
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0012 0.0012
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0012 0.0012
Leishmania major DNA polymerase eta, putative 0.0044 0.0211 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0047 0.0335
Loa Loa (eye worm) hypothetical protein 0.0024 0.0047 0.0449
Mycobacterium ulcerans thymidine phosphorylase 0.1291 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0211 0.2028
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0012 0.0119
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0047 0.0335
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0047 0.0047
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0211 0.1933
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0047 0.1731
Loa Loa (eye worm) hypothetical protein 0.0024 0.0047 0.0449
Echinococcus granulosus geminin 0.0168 0.1183 0.1172
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0012 0.0012
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0047 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0047 1

Activities

Activity type Activity value Assay description Source Reference
MED (functional) <= 3.2 mg kg-1 Minimal effective dose in an rat anti-immobility effect using behavioral despair test ChEMBL. 2374150

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

1 literature reference was collected for this gene.

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