Detailed information for compound 1486276

Basic information

Technical information
  • TDR Targets ID: 1486276
  • Name: N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl] pyridine-2-carboxamide
  • MW: 313.351 | Formula: C17H19N3O3
  • H donors: 2 H acceptors: 3 LogP: 1.84 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1cccc(c1)C)NCCNC(=O)c1ccccn1
  • InChi: 1S/C17H19N3O3/c1-13-5-4-6-14(11-13)23-12-16(21)19-9-10-20-17(22)15-7-2-3-8-18-15/h2-8,11H,9-10,12H2,1H3,(H,19,21)(H,20,22)
  • InChiKey: WETZQAOJRXJOMR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[[2-(3-methylphenoxy)-1-oxoethyl]amino]ethyl]-2-pyridinecarboxamide
  • N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]picolinamide
  • N-[2-[2-(3-methylphenoxy)ethanoylamino]ethyl]pyridine-2-carboxamide
  • AO-365/43264342
  • ST064007
  • BAS 11412595
  • Pyridine-2-carboxylic acid [2-(2-m-tolyloxy-acetylamino)-ethyl]-amide
  • ZINC04487401

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens v-ets avian erythroblastosis virus E26 oncogene homolog Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Schistosoma mansoni ets-related Get druggable targets OG5_131947 All targets in OG5_131947
Brugia malayi Fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Schistosoma japonicum ko:K09435 transcriptional regulator ERG, putative Get druggable targets OG5_131947 All targets in OG5_131947
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 GA binding protein alpha chain 0.0087 0.2221 0.1268
Giardia lamblia Rrm3p helicase 0.0309 1 1
Brugia malayi Ets-domain containing protein 0.0087 0.2221 0.193
Leishmania major mitochondrial DNA polymerase beta 0.0306 0.9885 0.98
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0306 0.9885 0.9877
Entamoeba histolytica DNA repair and recombination protein, putative 0.0309 1 0.5
Brugia malayi DNA polymerase I family protein 0.01 0.2655 0.249
Schistosoma mansoni DNA polymerase gamma 0.01 0.2655 0.1755
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0309 1 1
Mycobacterium ulcerans hypothetical protein 0.0161 0.4804 0.5
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0087 0.2221 0.0665
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0309 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.423 0.3823
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 0.4804 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0309 1 1
Toxoplasma gondii hypothetical protein 0.0049 0.088 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0988 0.0353
Echinococcus granulosus GA binding protein alpha chain 0.0087 0.2221 0.1268
Loa Loa (eye worm) fli-1 protein 0.0265 0.8477 1
Plasmodium vivax DNA polymerase alpha, putative 0.0045 0.0725 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0309 1 1
Schistosoma mansoni hypothetical protein 0.0084 0.2092 0.1123
Schistosoma mansoni gabp alpha 0.0087 0.2221 0.1268
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0306 0.9885 0.9885
Loa Loa (eye worm) hypothetical protein 0.0076 0.182 0.0066
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0306 0.9885 0.9877
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0309 1 1
Echinococcus multilocularis hypothetical protein 0.01 0.2655 0.1755
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0309 1 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0309 1 1
Brugia malayi Ets-domain containing protein 0.0087 0.2221 0.193
Brugia malayi Fli-1 protein 0.0265 0.8477 1
Entamoeba histolytica hypothetical protein, conserved 0.0309 1 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0145 0.423 0.423
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0309 1 1
Schistosoma mansoni hypothetical protein 0.0309 1 1
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0076 0.182 0.5
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0658 0.0658
Trichomonas vaginalis conserved hypothetical protein 0.0309 1 0.5
Echinococcus granulosus DNA polymerase subunit gamma 0.01 0.2655 0.1755
Schistosoma mansoni ets-related 0.0265 0.8477 0.829
Trypanosoma brucei RNA helicase, putative 0.0084 0.2092 0.2092
Loa Loa (eye worm) hypothetical protein 0.01 0.2655 0.1313

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (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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