Detailed information for compound 26365

Basic information

Technical information
  • TDR Targets ID: 26365
  • Name: (E)-N-(2H-chromen-4-ylmethyl)-N-methyl-3-phen ylprop-2-en-1-amine
  • MW: 291.387 | Formula: C20H21NO
  • H donors: 0 H acceptors: 0 LogP: 3.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CC1=CCOc2c1cccc2)C/C=C/c1ccccc1
  • InChi: 1S/C20H21NO/c1-21(14-7-10-17-8-3-2-4-9-17)16-18-13-15-22-20-12-6-5-11-19(18)20/h2-13H,14-16H2,1H3/b10-7+
  • InChiKey: YAHOBIQNQUONNK-JXMROGBWSA-N  

Network

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Synonyms

  • (E)-N-(2H-chromen-4-ylmethyl)-N-methyl-3-phenyl-prop-2-en-1-amine
  • (E)-N-(2H-1-benzopyran-4-ylmethyl)-N-methyl-3-phenyl-2-propen-1-amine
  • 2H-chromen-4-ylmethyl-[(E)-cinnamyl]-methyl-amine
  • 2H-chromen-4-ylmethyl-methyl-[(E)-3-phenylprop-2-enyl]amine

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
Schistosoma mansoni histone deacetylase 0.0176 0.4175 1
Brugia malayi histone deacetylase 11 0.0082 0.117 0.117
Trichomonas vaginalis histone deacetylase, putative 0.0176 0.4175 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0176 0.4175 0.5
Giardia lamblia Histone deacetylase 0.0176 0.4175 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0176 0.4175 0.5
Trypanosoma cruzi histone deacetylase, putative 0.014 0.303 0.619
Trichomonas vaginalis histone deacetylase, putative 0.0176 0.4175 0.5
Echinococcus multilocularis histone deacetylase 6 0.0146 0.3234 0.7746
Echinococcus multilocularis histone deacetylase 3 0.0176 0.4175 1
Schistosoma mansoni histone deacetylase 0.0176 0.4175 1
Trypanosoma cruzi histone deacetylase, putative 0.014 0.303 0.619
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0128 0.0128
Trypanosoma cruzi histone deacetylase 1, putative 0.0176 0.4175 1
Loa Loa (eye worm) histone deacetylase 7A 0.014 0.303 0.303
Brugia malayi Histone deacetylase 1 0.0176 0.4175 0.4175
Loa Loa (eye worm) histone deacetylase 1 0.0176 0.4175 0.4175
Echinococcus multilocularis histone deacetylase 8 0.0082 0.117 0.2803
Schistosoma mansoni histone deacetylase 1 2 3 0.0082 0.117 0.2803
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0176 0.4175 0.5
Plasmodium vivax histone deacetylase 2, putative 0.014 0.303 0.619
Onchocerca volvulus TPPP family protein homolog 0.0359 1 1
Loa Loa (eye worm) histone deacetylase 0.014 0.303 0.303
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0128 0.0128
Loa Loa (eye worm) p25-alpha family protein 0.0359 1 1
Echinococcus granulosus histone deacetylase 0.014 0.303 0.7258
Loa Loa (eye worm) hypothetical protein 0.0082 0.117 0.117
Schistosoma mansoni histone deacetylase 4 5 0.014 0.303 0.7258
Toxoplasma gondii histone deacetylase HDAC1 0.014 0.303 0.619
Brugia malayi Histone deacetylase family protein 0.014 0.303 0.303
Echinococcus multilocularis histone deacetylase 7 0.014 0.303 0.7258
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0176 0.4175 0.5
Trypanosoma brucei histone deacetylase, putative 0.014 0.303 0.619
Onchocerca volvulus 0.0297 0.8009 0.7746
Schistosoma mansoni histone deacetylase 4 5 0.014 0.303 0.7258
Echinococcus granulosus histone deacetylase 7 0.014 0.303 0.7258
Loa Loa (eye worm) hypothetical protein 0.0058 0.0432 0.0432
Trypanosoma brucei histone deacetylase 4 0.014 0.303 0.619
Echinococcus granulosus histone deacetylase 3 0.0176 0.4175 1
Trypanosoma cruzi histone deacetylase, putative 0.014 0.303 0.619
Schistosoma mansoni histone deacetylase hda2 0.0082 0.117 0.2803
Entamoeba histolytica histone deacetylase, putative 0.0176 0.4175 0.5
Loa Loa (eye worm) hypothetical protein 0.0297 0.8009 0.8009
Echinococcus multilocularis histone deacetylase 0.014 0.303 0.7258
Trypanosoma cruzi histone deacetylase 1, putative 0.0176 0.4175 1
Trichomonas vaginalis histone deacetylase, putative 0.0176 0.4175 0.5
Schistosoma mansoni hypothetical protein 0.0166 0.3863 0.9253
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0128 0.0128
Echinococcus granulosus histone deacetylase 6 0.014 0.303 0.7258
Echinococcus multilocularis geminin 0.0166 0.3863 0.9253
Echinococcus multilocularis histone deacetylase 6 0.014 0.303 0.7258
Loa Loa (eye worm) histone deacetylase 11 0.0082 0.117 0.117
Toxoplasma gondii histone deacetylase HDAC2 0.0176 0.4175 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0128 0.0128
Loa Loa (eye worm) histone deacetylase 3 0.0176 0.4175 0.4175
Schistosoma mansoni hypothetical protein 0.0166 0.3863 0.9253
Toxoplasma gondii histone deacetylase HDAC3 0.0176 0.4175 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0636 0.0636
Plasmodium falciparum histone deacetylase 1 0.0176 0.4175 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0176 0.4175 0.5
Brugia malayi hypothetical protein 0.0297 0.8009 0.8009
Echinococcus multilocularis histone deacetylase 1 0.0176 0.4175 1
Echinococcus multilocularis histone deacetylase 6 0.014 0.303 0.7258
Leishmania major histone deacetylase, putative 0.0176 0.4175 1
Brugia malayi histone deacetylase 3 (HD3) 0.0176 0.4175 0.4175
Schistosoma mansoni histone deacetylase hda2 0.0146 0.3234 0.7746
Trypanosoma brucei histone deacetylase 3 0.014 0.303 0.619
Trypanosoma brucei histone deacetylase 1 0.0176 0.4175 1
Echinococcus granulosus geminin 0.0166 0.3863 0.9253
Brugia malayi Histone deacetylase family protein 0.014 0.303 0.303
Brugia malayi histone deacetylase 1 (HD1) 0.0176 0.4175 0.4175
Plasmodium vivax histone deacetylase 1, putative 0.0176 0.4175 1
Leishmania major histone deacetylase, putative 0.0176 0.4175 1
Trichomonas vaginalis histone deacetylase, putative 0.0176 0.4175 0.5
Echinococcus granulosus histone deacetylase 8 0.0082 0.117 0.2803
Loa Loa (eye worm) hypothetical protein 0.0176 0.4175 0.4175
Echinococcus granulosus histone deacetylase 6 0.0146 0.3234 0.7746
Plasmodium vivax histone deacetylase, putative 0.014 0.303 0.619
Echinococcus granulosus histone deacetylase 6 0.014 0.303 0.7258
Echinococcus granulosus histone deacetylase 1 0.0176 0.4175 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 82 % In vivo antifungal activity by topical treatment of guinea pig dermatophytosis caused by Trichophyton mentagrophytes at a dose of 2% ChEMBL. 3510297
MIC (functional) = 0.2 ug ml-1 Antifungal activity measured against Trichophyton mentagrophytes ChEMBL. 3510297
MIC (functional) = 0.4 ug ml-1 Antifungal activity against Epidermophyton floccosum. ChEMBL. 3510297
MIC (functional) = 0.4 ug ml-1 Antifungal activity against Microsporum canis ChEMBL. 3510297
MIC (functional) = 6.2 ug ml-1 Antifungal activity measured against Sporothrix schenck ii. ChEMBL. 3510297
MIC (functional) = 6.2 ug ml-1 Antifungal activity against Candida parapsilosis. ChEMBL. 3510297
MIC (functional) = 50 ug ml-1 Antifungal activity measured against Aspergillus fumigatus ChEMBL. 3510297

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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