Detailed information for compound 1329811

Basic information

Technical information
  • TDR Targets ID: 1329811
  • Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-fluor ophenyl)prop-2-enamide
  • MW: 299.296 | Formula: C17H14FNO3
  • H donors: 1 H acceptors: 1 LogP: 3.03 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(/C=C/c1cccc(c1)F)NCc1ccc2c(c1)OCO2
  • InChi: 1S/C17H14FNO3/c18-14-3-1-2-12(8-14)5-7-17(20)19-10-13-4-6-15-16(9-13)22-11-21-15/h1-9H,10-11H2,(H,19,20)/b7-5+
  • InChiKey: KWWWNUISTZKCLW-FNORWQNLSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-fluorophenyl)acrylamide
  • T5485643
  • ZINC03479486

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
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0055 0.0283 0.5
Schistosoma mansoni Smad4 0.0034 0.0093 0.0145
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0339 0.287 0.8243
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0146 0.111 0.3189
Loa Loa (eye worm) TAR-binding protein 0.0406 0.3482 0.3422
Brugia malayi MH2 domain containing protein 0.0076 0.0478 0.0389
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0406 0.3482 0.3422
Schistosoma mansoni hypothetical protein 0.0339 0.287 0.4447
Schistosoma mansoni smad 0.0076 0.0478 0.0741
Echinococcus granulosus mothers against decapentaplegic 6 0.0034 0.0093 0.0268
Echinococcus granulosus smad 0.0076 0.0478 0.1374
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0055 0.0283 0.0176
Loa Loa (eye worm) MH2 domain-containing protein 0.0076 0.0478 0.039
Schistosoma mansoni hypothetical protein 0.0339 0.287 0.4447
Schistosoma mansoni hypothetical protein 0.0732 0.6454 1
Giardia lamblia Methionyl-tRNA synthetase 0.0055 0.0283 0.5
Brugia malayi MH2 domain containing protein 0.0076 0.0478 0.0389
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0146 0.111 0.3189
Echinococcus multilocularis Smad4 0.0076 0.0478 0.1374
Echinococcus multilocularis mothers against decapentaplegic 6 0.0034 0.0093 0.0268
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0055 0.0283 0.0193
Schistosoma mansoni Smad4 0.0034 0.0093 0.0145
Plasmodium falciparum methionine--tRNA ligase 0.0055 0.0283 0.0176
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0146 0.111 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0339 0.287 0.8243
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0055 0.0283 0.5
Echinococcus granulosus methionine tRNA synthetase 0.0055 0.0283 0.0811
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0034 0.0093 0.0012
Brugia malayi Calcitonin receptor-like protein seb-1 0.1071 0.9541 0.9537
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0076 0.0478 0.1374
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0206 0.1657 1
Echinococcus multilocularis GPCR, family 2 0.0339 0.287 0.8243
Echinococcus granulosus TGF beta signal transducer SmadC 0.0076 0.0478 0.1374
Schistosoma mansoni hypothetical protein 0.0339 0.287 0.4447
Schistosoma mansoni tar DNA-binding protein 0.0406 0.3482 0.5396
Loa Loa (eye worm) MH2 domain-containing protein 0.1121 1 1
Echinococcus granulosus mothers against decapentaplegic 2 0.0034 0.0093 0.0268
Loa Loa (eye worm) MH2 domain-containing protein 0.0034 0.0093 0.0002
Loa Loa (eye worm) hypothetical protein 0.0206 0.1657 0.158
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1071 0.9541 0.9537
Schistosoma mansoni Smad4 0.0076 0.0478 0.0741
Loa Loa (eye worm) latrophilin receptor protein 2 0.0339 0.287 0.2804
Toxoplasma gondii isocitrate dehydrogenase 0.0146 0.111 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0146 0.111 1
Brugia malayi MH1 domain containing protein 0.0042 0.0167 0.0075
Schistosoma mansoni tar DNA-binding protein 0.0406 0.3482 0.5396
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0146 0.111 1
Echinococcus granulosus Smad4 0.0076 0.0478 0.1374
Loa Loa (eye worm) MH1 domain-containing protein 0.0076 0.0478 0.039
Toxoplasma gondii methionyl-tRNA synthetase 0.0055 0.0283 0.0176
Loa Loa (eye worm) nuclear factor I 0.0042 0.0167 0.0076
Schistosoma mansoni smad 0.0034 0.0093 0.0145
Brugia malayi Isocitrate dehydrogenase 0.0146 0.111 0.1026
Loa Loa (eye worm) isocitrate dehydrogenase 0.0146 0.111 0.1028
Brugia malayi MH1 domain containing protein 0.0076 0.0478 0.0389
Schistosoma mansoni smad1 5 8 and 0.0076 0.0478 0.0741
Brugia malayi RNA recognition motif domain containing protein 0.0406 0.3482 0.3421
Echinococcus multilocularis isocitrate dehydrogenase 0.0146 0.111 0.3189
Brugia malayi N-terminal motif family protein 0.0206 0.1657 0.1578
Brugia malayi Smad1 0.0076 0.0478 0.0389
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0055 0.0283 0.5
Brugia malayi methionyl-tRNA synthetase 0.0055 0.0283 0.0191
Schistosoma mansoni tar DNA-binding protein 0.0406 0.3482 0.5396
Loa Loa (eye worm) transcription factor SMAD2 0.1121 1 1
Echinococcus multilocularis smad 0.0076 0.0478 0.1374
Toxoplasma gondii isocitrate dehydrogenase 0.0146 0.111 1
Brugia malayi hypothetical protein 0.0053 0.0268 0.0176
Loa Loa (eye worm) hypothetical protein 0.1071 0.9541 0.9537
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0339 0.287 0.2803
Brugia malayi hypothetical protein 0.0034 0.0096 0.0002
Brugia malayi Latrophilin receptor protein 2 0.0339 0.287 0.2803
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0178
Loa Loa (eye worm) Smad1 0.0076 0.0478 0.039
Brugia malayi isocitrate dehydrogenase 0.0146 0.111 0.1026
Schistosoma mansoni smad1 5 8 and 0.0076 0.0478 0.0741
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0146 0.111 0.3189
Loa Loa (eye worm) hypothetical protein 0.0339 0.287 0.2804
Echinococcus granulosus tar DNA binding protein 0.0406 0.3482 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0034 0.0093 0.0002
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0146 0.111 1
Brugia malayi MH1 domain containing protein 0.0042 0.0167 0.0075
Schistosoma mansoni smad1 5 8 and 0.0076 0.0478 0.0741
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0146 0.111 0.172
Loa Loa (eye worm) RNA binding protein 0.0406 0.3482 0.3422
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0146 0.111 0.3189
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0146 0.111 1
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0055 0.0283 0.0176
Brugia malayi latrophilin 2 splice variant baaae 0.0732 0.6454 0.642
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0146 0.111 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0076 0.0478 0.1374
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0339 0.287 0.8243
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1071 0.9541 0.9537
Echinococcus granulosus GPCR family 2 0.0339 0.287 0.8243
Schistosoma mansoni tar DNA-binding protein 0.0406 0.3482 0.5396
Brugia malayi RNA binding protein 0.0406 0.3482 0.3421
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0055 0.0283 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0146 0.111 0.3189
Brugia malayi TAR-binding protein 0.0406 0.3482 0.3421
Loa Loa (eye worm) hypothetical protein 0.0732 0.6454 0.6421
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0146 0.111 1
Brugia malayi MH1 domain containing protein 0.0076 0.0478 0.0389
Leishmania major methionyl-tRNA synthetase, putative 0.0055 0.0283 0.0176
Echinococcus granulosus mothers against decapentaplegic 5 0.0076 0.0478 0.1374
Loa Loa (eye worm) hypothetical protein 0.0042 0.0167 0.0076
Echinococcus multilocularis tar DNA binding protein 0.0406 0.3482 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0093 0.0002
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0076 0.0478 0.0741
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0339 0.287 0.8243
Plasmodium vivax methionine--tRNA ligase, putative 0.0055 0.0283 0.0176
Echinococcus multilocularis mothers against decapentaplegic 2 0.0034 0.0093 0.0268
Schistosoma mansoni hypothetical protein 0.0339 0.287 0.4447
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0146 0.111 1
Echinococcus multilocularis methionine tRNA synthetase 0.0055 0.0283 0.0811
Schistosoma mansoni tar DNA-binding protein 0.0406 0.3482 0.5396
Schistosoma mansoni methionine-tRNA synthetase 0.0055 0.0283 0.0438

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 20.7865 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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