Detailed information for compound 1451181

Basic information

Technical information
  • TDR Targets ID: 1451181
  • Name: N-[4-[(E)-[(2,4,6-trichlorophenyl)hydrazinyli dene]methyl]phenyl]acetamide
  • MW: 356.634 | Formula: C15H12Cl3N3O
  • H donors: 2 H acceptors: 1 LogP: 4.6 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)/C=N/Nc1c(Cl)cc(cc1Cl)Cl
  • InChi: 1S/C15H12Cl3N3O/c1-9(22)20-12-4-2-10(3-5-12)8-19-21-15-13(17)6-11(16)7-14(15)18/h2-8,21H,1H3,(H,20,22)/b19-8+
  • InChiKey: FMVOKKMDWHZJHM-UFWORHAWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenyl]acetamide
  • N-[4-[(E)-[(2,4,6-trichlorophenyl)hydrazono]methyl]phenyl]acetamide
  • N-[4-[[(2,4,6-trichlorophenyl)hydrazono]methyl]phenyl]acetamide
  • N-[4-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenyl]ethanamide
  • N-[4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenyl]ethanamide
  • T0514-4650

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens NADPH oxidase 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) hypothetical protein Get druggable targets OG5_127219 All targets in OG5_127219
Brugia malayi Blistered cuticle protein 3 Get druggable targets OG5_127219 All targets in OG5_127219
Loa Loa (eye worm) blistered cuticle protein 3 Get druggable targets OG5_127219 All targets in OG5_127219
Onchocerca volvulus Dual oxidase homolog Get druggable targets OG5_127219 All targets in OG5_127219
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) RNA binding protein 0.0061 0.4521 0.4521
Loa Loa (eye worm) blistered cuticle protein 3 0.0088 0.7208 0.7208
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0041 0.2496 0.5
Schistosoma mansoni tar DNA-binding protein 0.0061 0.4521 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.4521 1
Leishmania major ferric reductase, putative 0.0041 0.2496 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.3611 0.3611
Loa Loa (eye worm) hypothetical protein 0.0052 0.3611 0.3611
Brugia malayi TAR-binding protein 0.0061 0.4521 0.4521
Loa Loa (eye worm) hypothetical protein 0.0036 0.194 0.194
Trypanosoma brucei ferric reductase transmembrane protein, putative 0.0041 0.2496 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.4521 0.4521
Loa Loa (eye worm) TAR-binding protein 0.0061 0.4521 0.4521
Echinococcus multilocularis tar DNA binding protein 0.0061 0.4521 1
Echinococcus granulosus tar DNA binding protein 0.0061 0.4521 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.4521 0.4521
Brugia malayi RNA binding protein 0.0061 0.4521 0.4521
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.3611 0.3611
Brugia malayi Blistered cuticle protein 3 0.0088 0.7208 0.7208
Schistosoma mansoni hypothetical protein 0.0036 0.194 0.429
Schistosoma mansoni tar DNA-binding protein 0.0061 0.4521 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 1 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.4521 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.4521 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.3611 0.3611
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0041 0.2496 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.194 0.194
Loa Loa (eye worm) transcription factor SMAD2 0.0115 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.3041 0.3041
Onchocerca volvulus Dual oxidase homolog 0.0088 0.7208 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 17 um PUBCHEM_BIOASSAY: Late-stage luminescence-based cell-based dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): Purchased analogs. (Class of assay: confirmatory) [Related pubchem assays: 2752 (Primary screen (NOX1 inhibitors, synthesized analogs set 2)), 2532 (Dose response (NOX1 inhibitors, HEK/293 cells)), 2664 (Primary screen (NOX1 inhibitors, synthesized analogs)), 1792 (Primary Screen (NOX1 inhibitors)), 2556 (Counterscreen (Xanthine oxidase inhibitors)), 2538 (Dose response screen (NOX1 inhibitors)), 1796 (Summary AID (NOX1 inhibitors)), 2773 (Primary screen (NOX1 inhibitors, synthesized analogs set 3)), 2545 (Confirmation screen (NOX1 inhibitors, HEK/293 cells)), 2539 (Counterscreen (NOX2, NOX3, NOX4 inhibitors)), 2541 (Confirmation screen (NOX1 inhibitors)), 1823 (Counterscreen (luminal))] 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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