Detailed information for compound 816880

Basic information

Technical information
  • TDR Targets ID: 816880
  • Name: N-(4-ethoxyphenyl)-3-(4-nitrophenyl)prop-2-en amide
  • MW: 312.32 | Formula: C17H16N2O4
  • H donors: 1 H acceptors: 3 LogP: 3.35 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=O)C=Cc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C17H16N2O4/c1-2-23-16-10-6-14(7-11-16)18-17(20)12-5-13-3-8-15(9-4-13)19(21)22/h3-12H,2H2,1H3,(H,18,20)/b12-5+
  • InChiKey: PMONZIHPOSSCKM-LFYBBSHMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-N-(4-ethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
  • N-(4-ethoxyphenyl)-3-(4-nitrophenyl)acrylamide
  • (E)-N-(4-ethoxyphenyl)-3-(4-nitrophenyl)acrylamide
  • IVK/8192084
  • ZINC00438240
  • CBMicro_015928
  • BIM-0015773.P001

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
Onchocerca volvulus 0.0227 0.0545 0.8424
Trypanosoma brucei carbonic anhydrase-like protein 0.3607 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.3607 1 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.3607 1 1
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0078 0.0129 0.0368
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0036 0.0024
Chlamydia trachomatis sulfate transporter 0.0036 0.0012 0.5
Mycobacterium leprae Probable transmembrane transport protein 0.0262 0.0643 0.1417
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.3607 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0022 0.0019
Mycobacterium ulcerans carbonic anhydrase 0.1682 0.4616 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1607 0.4407 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0022 0.0019
Echinococcus granulosus carbonic anhydrase 0.1404 0.3839 0.3839
Plasmodium falciparum carbonic anhydrase 0.1404 0.3839 1
Leishmania major carbonic anhydrase-like protein 0.3607 1 1
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0864 0.2327 0.7922
Plasmodium vivax hypothetical protein, conserved 0.004 0.0022 1
Toxoplasma gondii ABC1 family protein 0.004 0.0022 0.0048
Loa Loa (eye worm) hypothetical protein 0.004 0.0022 0.0019
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1404 0.3839 0.3837
Entamoeba histolytica acetyltransferase, putative 0.0078 0.0129 0.0245
Schistosoma mansoni hypothetical protein 0.0187 0.0434 0.0431
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0121 0.0215
Echinococcus multilocularis carbonic anhydrase 0.1404 0.3839 0.3837
Onchocerca volvulus 0.004 0.0022 0.0288
Loa Loa (eye worm) carbonic anhydrase 3 0.3607 1 1
Echinococcus multilocularis carbonic anhydrase 0.1404 0.3839 0.3837
Mycobacterium ulcerans beta-lactamase 0.004 0.0022 0.0022
Toxoplasma gondii hypothetical protein 0.1404 0.3839 1
Trypanosoma brucei hypothetical protein, conserved 0.0045 0.0036 0.0024
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.1006 0.2723 0.9284
Brugia malayi beta-lactamase 0.004 0.0022 0.0019
Onchocerca volvulus 0.004 0.0022 0.0288
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0036 0.0024
Schistosoma mansoni carbonic anhydrase 0.1607 0.4407 0.4405
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1404 0.3839 0.3837
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0022 0.0022
Onchocerca volvulus 0.0263 0.0646 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.3607 1 1
Schistosoma mansoni carbonic anhydrase 0.1404 0.3839 0.3837
Entamoeba histolytica carbonic anhydrase, putative 0.1607 0.4407 1
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0022 0.001
Loa Loa (eye worm) hypothetical protein 0.004 0.0022 0.0019
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0022 0.0019
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0262 0.0643 0.2136
Leishmania major carbonic anhydrase family protein, putative 0.1607 0.4407 0.4395
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0022 0.001
Loa Loa (eye worm) hypothetical protein 0.004 0.0022 0.0019
Schistosoma mansoni hypothetical protein 0.1404 0.3839 0.3837
Echinococcus granulosus carbonic anhydrase II 0.3607 1 1
Brugia malayi beta-lactamase family protein 0.004 0.0022 0.0019
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0254 0.0621 0.206
Loa Loa (eye worm) hypothetical protein 0.1404 0.3839 0.3837
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0022 0.0019
Brugia malayi beta-lactamase family protein 0.004 0.0022 0.0019
Brugia malayi Pre-SET motif family protein 0.0231 0.0557 0.0554
Mycobacterium leprae PROBABLE TRANSFERASE 0.0075 0.0121 0.0225
Trichomonas vaginalis set domain proteins, putative 0.0263 0.0646 0.1359
Loa Loa (eye worm) beta-lactamase 0.004 0.0022 0.0019
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0022 0.0018
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.3607 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1682 0.4616 1
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0078 0.0129 1
Entamoeba histolytica ankyrin, putative 0.0078 0.0129 0.0245
Echinococcus granulosus dynactin 5 p25 0.0078 0.0129 0.0129
Echinococcus multilocularis geminin 0.0187 0.0434 0.0431
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1404 0.3839 0.3837
Mycobacterium ulcerans hypothetical protein 0.004 0.0022 0.0022
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0036 0.0012 0.0022
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0078 0.0129 1
Mycobacterium ulcerans transferase 0.0075 0.0121 0.0237
Schistosoma mansoni carbonic anhydrase-related 0.1404 0.3839 0.3837
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0263 0.0645 0.0642
Echinococcus multilocularis carbonic anhydrase II 0.3607 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0022 0.001
Brugia malayi follicle stimulating hormone receptor 0.0263 0.0645 0.0642
Mycobacterium ulcerans carbonic anhydrase 0.1607 0.4407 0.9547
Echinococcus granulosus geminin 0.0187 0.0434 0.0434
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0022 0.0022
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1404 0.3839 0.3837
Brugia malayi Putative carbonic anhydrase 5 precursor 0.3607 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1404 0.3839 0.3837
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0231 0.0557 0.0554
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0022 0.0022
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.0075 0.0121 0.0215
Schistosoma mansoni carbonic anhydrase-related 0.1404 0.3839 0.3837
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.0045 0.0036 0.0032
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.108 0.2932 1
Schistosoma mansoni carbonic anhydrase-related 0.1404 0.3839 0.3837
Echinococcus multilocularis carbonic anhydrase 0.1404 0.3839 0.3837
Mycobacterium ulcerans lipase LipD 0.004 0.0022 0.0022
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0003 0.0003
Echinococcus granulosus carbonic anhydrase 0.1404 0.3839 0.3839
Plasmodium vivax sulfate transporter, putative 0.0036 0.0012 0.4502
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0022 0.0019
Leishmania major hypothetical protein, conserved 0.0045 0.0036 0.0014
Brugia malayi GnHR receptor homolog 0.1062 0.2883 0.288
Loa Loa (eye worm) hypothetical protein 0.004 0.0022 0.0019
Mycobacterium tuberculosis Possible siderophore-binding protein 0.0045 0.0036 0.0048
Onchocerca volvulus Putative sulfate transporter 0.0227 0.0545 0.8424
Onchocerca volvulus 0.0075 0.0121 0.1825
Echinococcus granulosus carbonic anhydrase 0.1404 0.3839 0.3839
Mycobacterium ulcerans hypothetical protein 0.0045 0.0036 0.0053
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.004 0.0022 0.0019
Trichomonas vaginalis conserved hypothetical protein 0.1682 0.4616 1
Loa Loa (eye worm) hypothetical protein 0.1404 0.3839 0.3837
Brugia malayi hypothetical protein 0.004 0.0022 0.0018
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0022 0.0018
Schistosoma mansoni hypothetical protein 0.004 0.0022 0.0018
Onchocerca volvulus 0.004 0.0022 0.0288
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0022 0.0019
Loa Loa (eye worm) hypothetical protein 0.2718 0.7513 0.7512
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1404 0.3839 0.3837
Schistosoma mansoni hypothetical protein 0.0187 0.0434 0.0431

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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