Detailed information for compound 766607

Basic information

Technical information
  • TDR Targets ID: 766607
  • Name: ethyl 4-[3-(5-methylfuran-2-yl)prop-2-enoylam ino]benzoate
  • MW: 299.321 | Formula: C17H17NO4
  • H donors: 1 H acceptors: 2 LogP: 2.9 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)NC(=O)C=Cc1ccc(o1)C
  • InChi: 1S/C17H17NO4/c1-3-21-17(20)13-5-7-14(8-6-13)18-16(19)11-10-15-9-4-12(2)22-15/h4-11H,3H2,1-2H3,(H,18,19)/b11-10+
  • InChiKey: XIHQAXMEESFAHZ-ZHACJKMWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoate
  • ethyl 4-[3-(5-methyl-2-furyl)prop-2-enoylamino]benzoate
  • ethyl 4-[[(E)-3-(5-methyl-2-furyl)prop-2-enoyl]amino]benzoate
  • 4-[[3-(5-methyl-2-furyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester
  • 4-[[(E)-3-(5-methyl-2-furyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester
  • 4-[[3-(5-methyl-2-furyl)acryloyl]amino]benzoic acid ethyl ester
  • 4-[[(E)-3-(5-methyl-2-furyl)acryloyl]amino]benzoic acid ethyl ester
  • ARONIS004296
  • STK056478
  • IFLab1_005709
  • IDI1_011112
  • ZINC00106328

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 RNA binding protein 0.0061 0.0751 0.0946
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.068 1 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0751 0.0946
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0751 0.5076
Brugia malayi hypothetical protein 0.0146 0.2019 0.2542
Loa Loa (eye worm) hypothetical protein 0.0084 0.1087 0.5383
Schistosoma mansoni hypothetical protein 0.011 0.1479 1
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.068 1 0.5
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.068 1 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0431 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0497 0.6614
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0751 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.0473 0.2341
Entamoeba histolytica fatty acid elongase, putative 0.0088 0.1156 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0389 0.1925
Loa Loa (eye worm) hypothetical protein 0.0146 0.2019 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0497 0.3357
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0043 0.0473 0.6293
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0043 0.0473 0.6293
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0497 0.246
Entamoeba histolytica fatty acid elongase, putative 0.0088 0.1156 1
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0751 0.372
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0043 0.0473 0.0595
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0751 0.5076
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0431 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.002 0.0138
Echinococcus granulosus tar DNA binding protein 0.0061 0.0751 1
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.0531 0.359
Brugia malayi Serotonin receptor 0.0542 0.7941 1
Loa Loa (eye worm) RNA binding protein 0.0061 0.0751 0.372
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0497 0.6614
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.068 1 0.5
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.002 0.0026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0497 0.6614
Entamoeba histolytica fatty acid elongase, putative 0.0088 0.1156 1
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.068 1 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.002 0.0271
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.068 1 0.5
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.002 0.0271
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0751 0.5076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0497 0.3357
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0751 0.372
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.002 0.0138
Entamoeba histolytica fatty acid elongase, putative 0.0088 0.1156 1
Entamoeba histolytica fatty acid elongase, putative 0.0088 0.1156 1
Brugia malayi TAR-binding protein 0.0061 0.0751 0.0946
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.0101
Onchocerca volvulus 0.0146 0.2019 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.002 0.0271
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0751 0.5076
Trypanosoma brucei RNA helicase, putative 0.011 0.1479 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0497 0.0625
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.068 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0751 0.5076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0497 0.3357
Echinococcus granulosus voltage gated potassium channel 0.0012 0.002 0.0271
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.0531 0.359
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0497 0.6614

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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