Detailed information for compound 758858

Basic information

Technical information
  • TDR Targets ID: 758858
  • Name: 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino] benzamide
  • MW: 310.304 | Formula: C17H14N2O4
  • H donors: 2 H acceptors: 2 LogP: 2.42 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1C(=O)N)C=Cc1ccc2c(c1)OCO2
  • InChi: 1S/C17H14N2O4/c18-17(21)12-3-1-2-4-13(12)19-16(20)8-6-11-5-7-14-15(9-11)23-10-22-14/h1-9H,10H2,(H2,18,21)(H,19,20)/b8-6+
  • InChiKey: NQZBFXHVNIQBHD-SOFGYWHQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide
  • 2-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzamide
  • 2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzamide
  • 2-[[3-(1,3-benzodioxol-5-yl)acryloyl]amino]benzamide
  • 2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]benzamide
  • STK053003
  • ZINC00182388

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 Pyruvate kinase, alpha/beta domain containing protein 0.0021 0.0098 0.0276
Schistosoma mansoni tar DNA-binding protein 0.0195 0.2744 0.272
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0127 0.026
Echinococcus multilocularis pyruvate kinase 0.0055 0.0615 0.0585
Brugia malayi MH2 domain containing protein 0.0247 0.3537 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0162 0.0501
Loa Loa (eye worm) hypothetical protein 0.007 0.0839 0.1726
Loa Loa (eye worm) hypothetical protein 0.0049 0.0517 0.1065
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0312 0.028
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.039 0.3699
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0172 0.064
Schistosoma mansoni pyruvate kinase 0.0036 0.0322 0.029
Schistosoma mansoni tar DNA-binding protein 0.0195 0.2744 0.272
Echinococcus granulosus tar DNA binding protein 0.0195 0.2744 0.272
Plasmodium vivax pyruvate kinase 2, putative 0.0036 0.0322 0.2739
Plasmodium vivax SET domain protein, putative 0.0029 0.0218 0.1289
Schistosoma mansoni alpha glucosidase 0.0035 0.0312 0.028
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0032 0.0066
Loa Loa (eye worm) hypothetical protein 0.0031 0.0252 0.0519
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0312 0.0586
Brugia malayi RNA recognition motif domain containing protein 0.0195 0.2744 0.7758
Echinococcus granulosus pyruvate kinase 0.007 0.0839 0.0809
Echinococcus multilocularis pyruvate kinase 0.0036 0.0322 0.029
Schistosoma mansoni pyruvate kinase 0.007 0.0839 0.0809
Trichomonas vaginalis pyruvate kinase, putative 0.007 0.0839 0.2255
Loa Loa (eye worm) hypothetical protein 0.0029 0.0218 0.0449
Loa Loa (eye worm) pyruvate kinase 0.007 0.0839 0.1726
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.0839 0.2023
Echinococcus granulosus importin subunit beta 1 0.0031 0.0252 0.0221
Brugia malayi MH2 domain containing protein 0.0017 0.0032 0.0091
Schistosoma mansoni tar DNA-binding protein 0.0195 0.2744 0.272
Echinococcus multilocularis tar DNA binding protein 0.0195 0.2744 0.272
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0333 0.4859 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0252 0.1765
Schistosoma mansoni tar DNA-binding protein 0.0195 0.2744 0.272
Trichomonas vaginalis set domain proteins, putative 0.023 0.3286 1
Loa Loa (eye worm) acetyltransferase 0.0149 0.2054 0.4226
Brugia malayi hypothetical protein 0.0017 0.0032 0.009
Loa Loa (eye worm) pyruvate kinase 0.007 0.0839 0.1726
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0312 0.028
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0218 0.0187
Trypanosoma cruzi pyruvate kinase 2, putative 0.007 0.0839 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.286 0.5885
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0312 0.0586
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.039 0.3699
Loa Loa (eye worm) pyruvate kinase 0.007 0.0839 0.1726
Brugia malayi MH1 domain containing protein 0.0017 0.0032 0.0091
Trypanosoma brucei pyruvate kinase 1, putative 0.007 0.0839 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0218 0.0187
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0172 0.064
Schistosoma mansoni alpha-glucosidase 0.0136 0.1854 0.1827
Schistosoma mansoni ran 0.0023 0.0127 0.0095
Brugia malayi TAR-binding protein 0.0195 0.2744 0.7758
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0172 0.064
Echinococcus multilocularis microtubule associated protein 2 0.067 1 1
Plasmodium falciparum importin beta, putative 0.0031 0.0252 0.1765
Loa Loa (eye worm) hypothetical protein 0.0026 0.0172 0.0354
Echinococcus granulosus snurportin 1 0.0333 0.4859 0.4843
Echinococcus multilocularis pyruvate kinase 0.007 0.0839 0.0809
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0312 0.0586
Schistosoma mansoni alpha-glucosidase 0.0136 0.1854 0.1827
Echinococcus multilocularis snurportin 1 0.0333 0.4859 0.4843
Loa Loa (eye worm) TAR-binding protein 0.0195 0.2744 0.5647
Brugia malayi Pyruvate kinase, M2 isozyme 0.007 0.0839 0.2372
Trypanosoma cruzi pyruvate kinase 2, putative 0.007 0.0839 1
Brugia malayi Smad1 0.0017 0.0032 0.0091
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0312 0.0586
Trypanosoma brucei pyruvate kinase 1 0.007 0.0839 1
Brugia malayi RNA binding protein 0.0195 0.2744 0.7758
Loa Loa (eye worm) Smad1 0.0017 0.0032 0.0066
Echinococcus granulosus pyruvate kinase 0.007 0.0839 0.0809
Brugia malayi Pre-SET motif family protein 0.0029 0.0218 0.0617
Toxoplasma gondii pyruvate kinase PyKII 0.0036 0.0322 0.2739
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0312 0.0586
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.0839 0.2023
Schistosoma mansoni hypothetical protein 0.0333 0.4859 0.4843
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0149 0.2054 0.2028
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0172 0.064
Entamoeba histolytica hypothetical protein 0.0025 0.0162 0.0912
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0312 0.0586
Toxoplasma gondii pyruvate kinase PyK1 0.007 0.0839 1
Chlamydia trachomatis pyruvate kinase 0.007 0.0839 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0218 0.0187
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0127 0.0358
Plasmodium falciparum pyruvate kinase 0.007 0.0839 1
Plasmodium vivax pyruvate kinase, putative 0.007 0.0839 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0312 0.0641
Leishmania major pyruvate kinase 0.007 0.0839 1
Onchocerca volvulus 0.023 0.3286 1
Brugia malayi MH2 domain containing protein 0.0017 0.0032 0.0091
Loa Loa (eye worm) RNA binding protein 0.0195 0.2744 0.5647
Schistosoma mansoni ran 0.0023 0.0127 0.0095
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.219 0.2165
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0252 0.0221
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.0446 0.4482
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0312 0.2599
Plasmodium falciparum pyruvate kinase 2 0.0036 0.0322 0.2739
Mycobacterium leprae Probable pyruvate kinase PykA 0.007 0.0839 0.5
Schistosoma mansoni importin beta-1 0.0031 0.0252 0.0221
Brugia malayi RNA, U transporter 1 0.0089 0.113 0.3195
Echinococcus granulosus pyruvate kinase 0.0036 0.0322 0.029
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0195 0.2744 0.5647
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0202 0.017
Trypanosoma brucei glucosidase, putative 0.0035 0.0312 0.2599
Brugia malayi hypothetical protein 0.0026 0.0172 0.0487
Brugia malayi acetyltransferase, GNAT family protein 0.0149 0.2054 0.5806
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0312 0.0586
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.007 0.0839 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0172 0.064
Giardia lamblia Pyruvate kinase 0.007 0.0839 1
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0162 0.0113
Loa Loa (eye worm) pyruvate kinase-PB 0.0049 0.0517 0.1065
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0218 0.0187
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0172 0.064
Loa Loa (eye worm) MH2 domain-containing protein 0.0247 0.3537 0.7278
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0127 0.0095
Echinococcus granulosus histone acetyltransferase KAT2B 0.0145 0.199 0.1964
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0312 0.0881
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0218 0.0187
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0162 0.0113
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.0839 0.2023
Trichomonas vaginalis pyruvate kinase, putative 0.007 0.0839 0.2255
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0218 0.1289
Brugia malayi MH1 domain containing protein 0.0017 0.0032 0.0091
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.219 0.2165
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.0446 0.1011
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0312 0.0586
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0312 0.2599
Leishmania major pyruvate kinase 0.007 0.0839 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.0446 0.4482
Schistosoma mansoni tar DNA-binding protein 0.0195 0.2744 0.272
Brugia malayi Pyruvate kinase, muscle isozyme 0.007 0.0839 0.2372
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.0446 0.1011
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0312 0.0586
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.039 0.6742
Echinococcus multilocularis pyruvate kinase 0.007 0.0839 0.0809
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0218 0.0187
Mycobacterium ulcerans pyruvate kinase 0.007 0.0839 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0252 0.1765
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0312 0.2599
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0312 0.2599
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0032 0.0066
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0127 0.0095
Schistosoma mansoni pyruvate kinase 0.007 0.0839 0.0809
Plasmodium vivax importin-beta 2, putative 0.0031 0.0252 0.1765
Echinococcus multilocularis pyruvate kinase 0.0036 0.0322 0.029
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0162 0.0113
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0312 0.4738
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0252 0.1765
Echinococcus granulosus pyruvate kinase 0.0036 0.0322 0.029
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0312 0.4738
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0149 0.2054 0.2028
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0218 0.0187
Giardia lamblia Pyruvate kinase 0.0036 0.0322 0.2739
Onchocerca volvulus 0.0092 0.1172 0.311
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.219 0.4506
Entamoeba histolytica pyruvate kinase, putative 0.0049 0.0517 1
Schistosoma mansoni microtubule-associated protein tau 0.067 1 1
Brugia malayi Pre-SET motif family protein 0.0202 0.286 0.8085
Echinococcus granulosus pyruvate kinase 0.0036 0.0322 0.029
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.219 0.6192
Loa Loa (eye worm) transcription factor SMAD2 0.0247 0.3537 0.7278
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.0446 0.0415
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.219 0.2165
Echinococcus multilocularis pyruvate kinase 0.0036 0.0322 0.029
Brugia malayi Importin beta-1 subunit 0.0031 0.0252 0.0713
Leishmania major hypothetical protein, conserved 0.0026 0.0172 0.064
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.0446 0.4482
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0172 0.064
Leishmania major importin beta-1 subunit, putative 0.0025 0.0162 0.0501

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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