Detailed information for compound 671008

Basic information

Technical information
  • TDR Targets ID: 671008
  • Name: 3-(3,4-dimethoxyphenyl)-N-(4-fluoro-3-nitroph enyl)prop-2-enamide
  • MW: 346.31 | Formula: C17H15FN2O5
  • H donors: 1 H acceptors: 3 LogP: 3.05 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(C=CC(=O)Nc2ccc(c(c2)[N+](=O)[O-])F)ccc1OC
  • InChi: 1S/C17H15FN2O5/c1-24-15-7-3-11(9-16(15)25-2)4-8-17(21)19-12-5-6-13(18)14(10-12)20(22)23/h3-10H,1-2H3,(H,19,21)/b8-4+
  • InChiKey: ZWJYVDVLJKHTQJ-XBXARRHUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-3-(3,4-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
  • 3-(3,4-dimethoxyphenyl)-N-(4-fluoro-3-nitro-phenyl)prop-2-enamide
  • (E)-3-(3,4-dimethoxyphenyl)-N-(4-fluoro-3-nitro-phenyl)prop-2-enamide
  • (E)-3-(3,4-dimethoxyphenyl)-N-(4-fluoro-3-nitro-phenyl)acrylamide
  • 3-(3,4-dimethoxyphenyl)-N-(4-fluoro-3-nitro-phenyl)acrylamide
  • ZINC00475315
  • TULIP015581

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) thymidylate synthase 0.0124 0.4605 0.4422
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0098 0.3519 0.3286
Loa Loa (eye worm) hepatopoietin HPO2 0.0034 0.077 0.041
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0059 0.183 0.1509
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0248 0.9937 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0124 0.4605 0.3423
Trypanosoma brucei polo-like protein kinase 0.0098 0.3519 0.3264
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.3519 0.3264
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0249 1 1
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.077 0.0407
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0124 0.4605 0.3717
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.3519 0.3264
Chlamydia trachomatis dihydrofolate reductase 0.0248 0.9937 0.5
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0249 1 1
Echinococcus granulosus thymidylate synthase 0.0124 0.4605 0.4183
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0098 0.3519 0.3264
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0249 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.3519 1
Brugia malayi hypothetical protein 0.0059 0.183 0.1841
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0248 0.9937 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.3519 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0098 0.3519 0.3541
Giardia lamblia Kinase, PLK 0.0098 0.3519 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0098 0.3519 0.2438
Echinococcus multilocularis thymidylate synthase 0.0124 0.4605 0.4183
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0034 0.077 0.0407
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.3519 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0034 0.077 0.0407
Leishmania major hypothetical protein, conserved 0.0034 0.077 0.0407
Schistosoma mansoni dihydrofolate reductase 0.0248 0.9937 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.3519 1
Echinococcus granulosus dihydrofolate reductase 0.0248 0.9937 1
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.077 0.0407
Brugia malayi thymidylate synthase 0.0124 0.4605 0.4634
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0098 0.3519 0.2999
Entamoeba histolytica serine/threonine protein kinase, putative 0.0098 0.3519 0.5
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0034 0.077 0.0407
Brugia malayi hypothetical protein 0.0025 0.0378 0.038
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.3519 1
Onchocerca volvulus 0.0124 0.4605 1
Brugia malayi dihydrofolate reductase family protein 0.0248 0.9937 1
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.183 0.205
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.3519 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.3519 1
Loa Loa (eye worm) dihydrofolate reductase 0.0248 0.9937 1
Echinococcus multilocularis dihydrofolate reductase 0.0248 0.9937 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0249 1 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0248 0.9937 1
Brugia malayi Dihydrofolate reductase 0.0248 0.9937 1
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0034 0.077 0.0407
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0249 1 1
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.077 0.0407
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.077 0.0407
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0098 0.3519 0.2999
Brugia malayi Augmenter of liver regeneration 0.0034 0.077 0.0774

Activities

No activities found for this compound.

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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