Detailed information for compound 372922

Basic information

Technical information
  • TDR Targets ID: 372922
  • Name: N-[(E)-(3-fluorophenyl)methylideneamino]-3,4, 5-trimethoxybenzamide
  • MW: 332.326 | Formula: C17H17FN2O4
  • H donors: 1 H acceptors: 1 LogP: 2.85 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)C(=O)N/N=C/c1cccc(c1)F
  • InChi: 1S/C17H17FN2O4/c1-22-14-8-12(9-15(23-2)16(14)24-3)17(21)20-19-10-11-5-4-6-13(18)7-11/h4-10H,1-3H3,(H,20,21)/b19-10+
  • InChiKey: HOMUYSSTAYKIKA-VXLYETTFSA-N  

Network

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Synonyms

  • N-[(E)-(3-fluorophenyl)methyleneamino]-3,4,5-trimethoxy-benzamide
  • N-[(E)-(3-fluorophenyl)methyleneamino]-3,4,5-trimethoxybenzamide
  • N-[(E)-(3-fluorophenyl)methylideneamino]-3,4,5-trimethoxy-benzamide
  • N-[(E)-(3-fluorobenzylidene)amino]-3,4,5-trimethoxy-benzamide

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
Onchocerca volvulus Peroxidasin homolog 0.0066 0.0065 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0098 0.0826 0.0826
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0491 1 0.5
Schistosoma mansoni glucose transport protein 0.0073 0.024 0.0176
Trichomonas vaginalis conserved hypothetical protein 0.0491 1 1
Plasmodium falciparum hexose transporter 0.0073 0.024 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0491 1 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0073 0.024 0.024
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0073 0.024 0.024
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0491 1 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0491 1 0.5
Echinococcus multilocularis peroxidasin 0.0066 0.0065 0.0065
Onchocerca volvulus Peroxidase homolog 0.0066 0.0065 0.5
Giardia lamblia Rrm3p helicase 0.0491 1 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0491 1 0.5
Brugia malayi Sugar transporter family protein 0.0073 0.024 1
Onchocerca volvulus 0.0066 0.0065 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0073 0.024 0.024
Toxoplasma gondii facilitative glucose transporter GT1 0.0073 0.024 0.5
Schistosoma mansoni lipoxygenase 0.0098 0.0826 0.0765
Entamoeba histolytica DNA repair and recombination protein, putative 0.0491 1 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0073 0.024 0.024
Loa Loa (eye worm) sugar transporter 0.0073 0.024 1
Entamoeba histolytica hypothetical protein, conserved 0.0491 1 0.5
Schistosoma mansoni glucose transport protein 0.0073 0.024 0.0176
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0073 0.024 0.024
Schistosoma mansoni hypothetical protein 0.0073 0.024 0.0176
Schistosoma mansoni hypothetical protein 0.0491 1 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0073 0.024 0.024
Schistosoma mansoni glucose transport protein 0.0073 0.024 0.0176
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0491 1 0.5
Plasmodium vivax hexose transporter 0.0073 0.024 0.5
Onchocerca volvulus Peroxidasin homolog 0.0066 0.0065 0.5
Onchocerca volvulus Chorion peroxidase homolog 0.0066 0.0065 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0073 0.024 0.024
Onchocerca volvulus 0.0066 0.0065 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0073 0.024 0.024
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0491 1 0.5
Schistosoma mansoni lipoxygenase 0.0069 0.0135 0.007
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0098 0.0826 0.0826
Onchocerca volvulus Peroxidase homolog 0.0066 0.0065 0.5
Onchocerca volvulus 0.0066 0.0065 0.5
Echinococcus granulosus peroxidasin 0.0066 0.0065 0.0065
Onchocerca volvulus Dual oxidase homolog 0.0066 0.0065 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0491 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 13.6 % Antiproliferative activity against human BGC823 cell line at 1 uM by MTT assay ChEMBL. 16876405
Inhibition (functional) = 13.6 % Antiproliferative activity against human BGC823 cell line at 1 uM by MTT assay ChEMBL. 16876405
Inhibition (functional) = 38 % Antiproliferative activity against human Bcap37 cell line at 1 uM by MTT assay ChEMBL. 16876405
Inhibition (functional) = 38 % Antiproliferative activity against human Bcap37 cell line at 1 uM by MTT assay ChEMBL. 16876405
Inhibition (functional) = 44.8 % Antiproliferative activity against human BGC823 cell line at 5 uM by MTT assay ChEMBL. 16876405
Inhibition (functional) = 44.8 % Antiproliferative activity against human BGC823 cell line at 5 uM by MTT assay ChEMBL. 16876405
Inhibition (functional) = 49 % Antiproliferative activity against human Bcap37 cell line at 5 uM by MTT assay ChEMBL. 16876405
Inhibition (functional) = 49 % Antiproliferative activity against human Bcap37 cell line at 5 uM by MTT assay ChEMBL. 16876405
Inhibition (functional) = 53.5 % Antiproliferative activity against human PC3 cell line at 1 uM by MTT assay ChEMBL. 16876405
Inhibition (functional) = 53.5 % Antiproliferative activity against human PC3 cell line at 1 uM by MTT assay ChEMBL. 16876405
Inhibition (functional) = 64.1 % Antiproliferative activity against human PC3 cell line at 5 uM by MTT assay ChEMBL. 16876405
Inhibition (functional) = 64.1 % Antiproliferative activity against human PC3 cell line at 5 uM by MTT assay ChEMBL. 16876405

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

1 literature reference was collected for this gene.

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