Detailed information for compound 673159

Basic information

Technical information
  • TDR Targets ID: 673159
  • Name: prop-2-enyl (E)-3-(1,3-benzodioxol-5-yl)-2-[( 2-chlorobenzoyl)amino]prop-2-enoate
  • MW: 385.798 | Formula: C20H16ClNO5
  • H donors: 1 H acceptors: 2 LogP: 4.33 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1Cl
  • InChi: 1S/C20H16ClNO5/c1-2-9-25-20(24)16(22-19(23)14-5-3-4-6-15(14)21)10-13-7-8-17-18(11-13)27-12-26-17/h2-8,10-11H,1,9,12H2,(H,22,23)/b16-10+
  • InChiKey: JZNVTXQWXBEXGN-MHWRWJLKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • prop-2-enyl 3-(1,3-benzodioxol-5-yl)-2-[(2-chlorobenzoyl)amino]prop-2-enoate
  • allyl (E)-3-(1,3-benzodioxol-5-yl)-2-[(2-chlorobenzoyl)amino]prop-2-enoate
  • allyl 3-(1,3-benzodioxol-5-yl)-2-[(2-chlorobenzoyl)amino]prop-2-enoate
  • 3-(1,3-benzodioxol-5-yl)-2-[[(2-chlorophenyl)-oxomethyl]amino]prop-2-enoic acid allyl ester
  • (E)-3-(1,3-benzodioxol-5-yl)-2-[[(2-chlorophenyl)-oxomethyl]amino]prop-2-enoic acid allyl ester
  • 3-(1,3-benzodioxol-5-yl)-2-[(2-chlorobenzoyl)amino]acrylic acid allyl ester
  • (E)-3-(1,3-benzodioxol-5-yl)-2-[(2-chlorobenzoyl)amino]acrylic acid allyl ester
  • prop-2-enyl 3-(1,3-benzodioxol-5-yl)-2-[(2-chlorophenyl)carbonylamino]prop-2-enoate
  • prop-2-enyl (E)-3-(1,3-benzodioxol-5-yl)-2-[(2-chlorophenyl)carbonylamino]prop-2-enoate
  • ZINC04801851

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
Brugia malayi lysosomal alpha-mannosidase 0.0091 0.2833 0.2833
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0027 0.0215 0.0378
Schistosoma mansoni lamin 0.003 0.0335 0.0485
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0058 0.1483 0.2146
Schistosoma mansoni mannosyl-oligosaccharide alpha-12-mannosidase 0.016 0.5684 0.8228
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.1316 0.1316
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0123 0.4169 1
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0123 0.4169 0.6036
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0091 0.2833 0.4101
Entamoeba histolytica hypothetical protein 0.0082 0.248 0.5
Schistosoma mansoni hypothetical protein 0.0054 0.1316 0.1905
Schistosoma mansoni transcription factor LCR-F1 0.0082 0.248 0.3589
Echinococcus multilocularis transfer RNA-Trp 0.016 0.5684 0.5684
Loa Loa (eye worm) hypothetical protein 0.0058 0.1475 0.1475
Schistosoma mansoni intermediate filament proteins 0.003 0.0335 0.0485
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0082 0.248 0.248
Schistosoma mansoni survival motor neuron protein 0.0054 0.1316 0.1905
Trichomonas vaginalis alpha-mannosidase, putative 0.0091 0.2833 0.4984
Echinococcus granulosus alpha mannosidase 2 0.0052 0.1249 0.1249
Echinococcus granulosus endoplasmic reticulum mannosyl oligosaccharide 0.016 0.5684 0.5684
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 0.1892 0.5
Echinococcus granulosus geminin 0.019 0.6908 0.6908
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.1892 0.5
Loa Loa (eye worm) hypothetical protein 0.0116 0.3867 0.3867
Loa Loa (eye worm) mannosidase 0.016 0.5684 0.5684
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.016 0.5684 1
Echinococcus granulosus lysosomal alpha mannosidase 0.0123 0.4169 0.4169
Onchocerca volvulus 0.0091 0.2833 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0312 0.0312
Loa Loa (eye worm) hypothetical protein 0.0091 0.2833 0.2833
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.016 0.5684 1
Echinococcus granulosus mannosyl oligosaccharide 12 alpha mannosidase 0.016 0.5684 0.5684
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0033 0.0441 0.0776
Loa Loa (eye worm) hypothetical protein 0.0091 0.2819 0.2819
Schistosoma mansoni hypothetical protein 0.019 0.6908 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 0.1892 0.5
Echinococcus multilocularis mannosyl oligosaccharide 1,2 alpha mannosidase 0.016 0.5684 0.5684
Loa Loa (eye worm) hypothetical protein 0.003 0.0335 0.0335
Schistosoma mansoni hypothetical protein 0.019 0.6908 1
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0096 0.3046 0.7305
Onchocerca volvulus 0.0054 0.1316 0.3927
Echinococcus granulosus lamin dm0 0.003 0.0335 0.0335
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.016 0.5684 1
Entamoeba histolytica hypothetical protein 0.0082 0.248 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0265 1 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.016 0.5684 1
Echinococcus multilocularis geminin 0.019 0.6908 0.6908
Echinococcus granulosus lamin 0.003 0.0335 0.0335
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0091 0.2833 0.4984
Echinococcus multilocularis lysosomal alpha mannosidase 0.0123 0.4169 0.4169
Loa Loa (eye worm) intermediate filament protein 0.003 0.0335 0.0335
Echinococcus granulosus alpha mannosidase 2 0.0058 0.1475 0.1475
Schistosoma mansoni hypothetical protein 0.0082 0.248 0.3589
Echinococcus multilocularis endoplasmic reticulum mannosyl oligosaccharide 0.016 0.5684 0.5684
Mycobacterium ulcerans alpha-mannosidase 0.0091 0.2833 1
Brugia malayi Glycosyl hydrolases family 38 protein 0.0116 0.3867 0.3867
Echinococcus granulosus intermediate filament protein 0.003 0.0335 0.0335
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.1892 0.1892
Brugia malayi hypothetical protein 0.0082 0.248 0.248
Brugia malayi Glycosyl hydrolases family 38 protein 0.0091 0.2833 0.2833
Brugia malayi Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform 1 0.016 0.5684 0.5684
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0441 0.0776
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.1892 0.2739
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.1892 0.1892
Loa Loa (eye worm) hypothetical protein 0.0033 0.0441 0.0441
Entamoeba histolytica hypothetical protein 0.0082 0.248 0.5
Trichomonas vaginalis conserved hypothetical protein 0.016 0.5684 1
Loa Loa (eye worm) hypothetical protein 0.016 0.5684 0.5684
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.016 0.5684 1
Echinococcus multilocularis lamin 0.003 0.0335 0.0335
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.016 0.5684 1
Echinococcus multilocularis alpha mannosidase 2 0.0116 0.3867 0.3867
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.0091 0.2833 0.2833
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0335 0.0335
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.016 0.5684 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.016 0.5684 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.016 0.5684 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.1483 0.1483
Onchocerca volvulus 0.0091 0.2833 1
Schistosoma mansoni lamin 0.003 0.0335 0.0485
Echinococcus multilocularis musashi 0.003 0.0335 0.0335
Loa Loa (eye worm) hypothetical protein 0.0265 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0335 0.0335
Loa Loa (eye worm) hypothetical protein 0.0138 0.4775 0.4775
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.016 0.5684 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.016 0.5684 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0441 0.0441
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0123 0.4169 1
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.1892 0.2739
Entamoeba histolytica hypothetical protein 0.0082 0.248 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0265 1 1
Brugia malayi Glycosyl hydrolases family 38 protein 0.0091 0.2833 0.2833
Schistosoma mansoni mannosidase alpha class 2a 0.0116 0.3867 0.5598
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0123 0.4169 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.016 0.5684 1
Echinococcus multilocularis lamin dm0 0.003 0.0335 0.0335
Brugia malayi intermediate filament protein 0.003 0.0335 0.0335
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.016 0.5684 1
Loa Loa (eye worm) hypothetical protein 0.016 0.5684 0.5684
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0082 0.248 0.248

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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