Detailed information for compound 827017

Basic information

Technical information
  • TDR Targets ID: 827017
  • Name: N-[(2-ethoxyphenyl)methyl]-5,7-dimethyl-[1,2, 4]triazolo[1,5-a]pyrimidin-2-amine
  • MW: 297.355 | Formula: C16H19N5O
  • H donors: 1 H acceptors: 3 LogP: 3.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1CNc1nn2c(n1)nc(cc2C)C
  • InChi: 1S/C16H19N5O/c1-4-22-14-8-6-5-7-13(14)10-17-15-19-16-18-11(2)9-12(3)21(16)20-15/h5-9H,4,10H2,1-3H3,(H,17,20)
  • InChiKey: MAEKGARTXSWHSN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(2-ethoxybenzyl)amine
  • D043-0233
  • NCGC00115285-01
  • BAS 09867563
  • ZINC05000605
  • (5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(2-ethoxy-benzyl)-amine

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
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.1046 0.2765
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.1902 0.5028
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.1046 0.2765
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.1902 0.5028
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.1902 0.5028
Trypanosoma brucei unspecified product 0.0027 0.1046 0.2765
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0152 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.1902 0.5028
Brugia malayi hypothetical protein 0.0026 0.1006 0.1006
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.1881 0.1881
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.3379 0.3379
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.1902 0.5028
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.01 0.626 0.4744
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0152 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.1902 0.5028
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0152 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0039 0.1902 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.3379 0.1824
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.3379 0.1824
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.1902 0.1902
Trypanosoma brucei unspecified product 0.0039 0.1902 0.5028
Leishmania major DNA polymerase kappa, putative 0.0039 0.1902 0.5028
Toxoplasma gondii hypothetical protein 0.0052 0.2884 0.2884
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0152 1 1
Echinococcus granulosus dna polymerase eta 0.0065 0.3784 0.2323
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.1902 0.5028
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.1902 0.5028
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.7471 0.7471
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.1902 0.5028
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0152 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.3379 0.339
Loa Loa (eye worm) hypothetical protein 0.0026 0.1006 0.1006
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.1902 0.5028
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0039 0.1902 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.1902 0.5028
Brugia malayi ImpB/MucB/SamB family protein 0.0065 0.3784 0.3784
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0152 1 0.5
Echinococcus multilocularis peptidase Clp (S14 family) 0.01 0.626 0.5381
Echinococcus granulosus peptidase Clp S14 family 0.01 0.626 0.5381
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0152 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0152 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.1902 0.5028
Giardia lamblia DINP protein human, muc B family 0.0039 0.1902 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.3379 0.3379
Schistosoma mansoni peptidase Clp (S14 family) 0.0152 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.1006 0.2658
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.1902 0.1902
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.01 0.626 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0039 0.1902 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.1006 0.1006
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.3379 0.3379
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.1902 0.1902
Brugia malayi hypothetical protein 0.0017 0.0346 0.0346
Leishmania major DNA polymerase eta, putative 0.0065 0.3784 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.1006 0.1006
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.01 0.626 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.1902 0.5028
Trypanosoma cruzi DNA polymerase eta, putative 0.0065 0.3784 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.1006 0.1006
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0152 1 1
Trypanosoma brucei unspecified product 0.0027 0.1046 0.2765
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.7471 0.7471
Loa Loa (eye worm) hypothetical protein 0.0065 0.3784 0.3784
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.1046 0.2765
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.1902 0.1902
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.1902 0.5028
Trypanosoma brucei DNA polymerase eta, putative 0.0065 0.3784 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0152 1 1
Leishmania major hypothetical protein, conserved 0.0026 0.1006 0.2658
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.1881 0.4972
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.1902 0.5028
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0052 0.2884 0.2884
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.1006 0.2658
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.3379 0.3379
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.1902 0.5028
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.1006 0.1006
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.1006 0.2658
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.1902 0.1902
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.3379 0.8932
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0152 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.3379 0.3379
Schistosoma mansoni DNA polymerase eta 0.0065 0.3784 0.3784
Leishmania major DNA polymerase eta, putative 0.0038 0.1881 0.4972
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0152 1 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0152 1 1
Loa Loa (eye worm) hypothetical protein 0.0152 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.3379 0.3379
Echinococcus multilocularis dna polymerase eta 0.0065 0.3784 0.2323
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.1902 0.5028
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.1902 0.5028
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.1902 0.1902
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0052 0.2884 0.2884
Brugia malayi MH2 domain containing protein 0.0117 0.7471 0.7471

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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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