Detailed information for compound 1356978

Basic information

Technical information
  • TDR Targets ID: 1356978
  • Name: 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol -4-yl]benzamide
  • MW: 339.364 | Formula: C19H18FN3O2
  • H donors: 1 H acceptors: 2 LogP: 3.1 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1C(=O)Nc1cnn(c1)Cc1ccc(cc1)F
  • InChi: 1S/C19H18FN3O2/c1-2-25-18-6-4-3-5-17(18)19(24)22-16-11-21-23(13-16)12-14-7-9-15(20)10-8-14/h3-11,13H,2,12H2,1H3,(H,22,24)
  • InChiKey: JKXSSNWYOVPUDX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]benzamide
  • 2-ethoxy-N-[1-(4-fluorobenzyl)pyrazol-4-yl]benzamide
  • MLS000698692
  • SMR000227483
  • IVK/9133228
  • 2-ethoxy-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 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) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Tolloid protein 1 0.0342 0.5 0.5
Schistosoma mansoni egf-like domain protein 0.0342 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0342 0.5 0.5
Toxoplasma gondii calcium binding egf domain-containing protein 0.0342 0.5 0.5
Echinococcus granulosus Tolloid protein 1 0.0342 0.5 0.5
Onchocerca volvulus Arrow homolog 0.0342 0.5 0.5
Echinococcus multilocularis fibrillin 1 0.0342 0.5 0.5
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0342 0.5 0.5
Echinococcus multilocularis laminin 0.0342 0.5 0.5
Toxoplasma gondii calcium binding egf domain-containing protein 0.0342 0.5 0.5
Echinococcus granulosus laminin 0.0342 0.5 0.5
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0342 0.5 0.5
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0342 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0342 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0342 0.5 0.5
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0342 0.5 0.5
Brugia malayi Fibulin-1 precursor 0.0342 0.5 0.5
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0342 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0342 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0342 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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