Detailed information for compound 1063422

Basic information

Technical information
  • TDR Targets ID: 1063422
  • Name: N-tert-butyl-2-[4-[(2H-1,2,4-triazol-3-ylamin o)methyl]phenoxy]acetamide
  • MW: 303.36 | Formula: C15H21N5O2
  • H donors: 3 H acceptors: 3 LogP: 2.1 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(C)(C)C)COc1ccc(cc1)CNc1n[nH]cn1
  • InChi: 1S/C15H21N5O2/c1-15(2,3)19-13(21)9-22-12-6-4-11(5-7-12)8-16-14-17-10-18-20-14/h4-7,10H,8-9H2,1-3H3,(H,19,21)(H2,16,17,18,20)
  • InChiKey: VOSBUKOWPQFLMM-UHFFFAOYSA-N  

Network

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Synonyms

  • N-tert-butyl-2-[4-[(2H-1,2,4-triazol-3-ylamino)methyl]phenoxy]ethanamide
  • ZINC00572526
  • MLS000709609
  • SMR000288076
  • STK133804
  • ChemDiv2_002026
  • BAS 07020661
  • N-tert-Butyl-2-{4-[(1H-[1,2,4]triazol-3-ylamino)-methyl]-phenoxy}-acetamide

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
Loa Loa (eye worm) hypothetical protein 0.001 0.0139 0.00000000841
Schistosoma mansoni transcription factor LCR-F1 0.0037 1 1
Entamoeba histolytica recQ family helicase, putative 0.0019 0.3639 0.3639
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0019 0.3639 1
Giardia lamblia Sgs1 DNA helicase, putative 0.0019 0.3639 0.5
Schistosoma mansoni hypothetical protein 0.0037 1 1
Entamoeba histolytica hypothetical protein 0.0037 1 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0139 1
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.3639 0.5
Entamoeba histolytica hypothetical protein 0.0037 1 1
Entamoeba histolytica hypothetical protein 0.0037 1 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.3639 0.5
Schistosoma mansoni DNA helicase recq5 0.0019 0.3639 0.3639
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.3639 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.3639 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0019 0.3639 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 1 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.3639 0.5
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.3639 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0139 0.0381
Loa Loa (eye worm) hypothetical protein 0.0019 0.3639 1
Entamoeba histolytica hypothetical protein 0.0037 1 1
Schistosoma mansoni DNA helicase recq1 0.0019 0.3639 0.3639
Loa Loa (eye worm) RecQ helicase 0.0019 0.3639 1
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0139 0.5
Trichomonas vaginalis DNA helicase recq1, putative 0.0019 0.3639 0.5
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.3639 0.5
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0139 0.0139
Entamoeba histolytica recQ family DNA helicase 0.001 0.0139 0.0139
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.3639 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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