Detailed information for compound 655333

Basic information

Technical information
  • TDR Targets ID: 655333
  • Name: N-[1-furan-2-yl-3-(2-methoxyethylamino)-3-oxo prop-1-en-2-yl]benzamide
  • MW: 314.336 | Formula: C17H18N2O4
  • H donors: 2 H acceptors: 2 LogP: 1.62 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNC(=O)/C(=C/c1ccco1)/NC(=O)c1ccccc1
  • InChi: 1S/C17H18N2O4/c1-22-11-9-18-17(21)15(12-14-8-5-10-23-14)19-16(20)13-6-3-2-4-7-13/h2-8,10,12H,9,11H2,1H3,(H,18,21)(H,19,20)/b15-12+
  • InChiKey: KPVYHEZCIQWTFV-NTCAYCPXSA-N  

Network

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Synonyms

  • N-[2-(2-furyl)-1-(2-methoxyethylcarbamoyl)vinyl]benzamide
  • N-[2-(2-furyl)-1-[(2-methoxyethylamino)-oxomethyl]vinyl]benzamide
  • N-[1-furan-2-yl-3-(2-methoxyethylamino)-3-oxo-prop-1-en-2-yl]benzamide
  • ST5330820
  • BAS 00392567
  • N-[2-Furan-2-yl-1-(2-methoxy-ethylcarbamoyl)-vinyl]-benzamide
  • ZINC04697043

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
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0081 0.3118 0.5
Brugia malayi Carboxylesterase family protein 0.0067 0.202 0.543
Echinococcus multilocularis acetylcholinesterase 0.0067 0.202 0.1406
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0081 0.3118 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.202 0.543
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0081 0.3118 0.5
Echinococcus multilocularis geminin 0.0169 1 1
Echinococcus granulosus acetylcholinesterase 0.0067 0.202 0.1406
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0081 0.3118 0.5
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0081 0.3118 0.2589
Schistosoma mansoni hypothetical protein 0.0169 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0067 0.202 0.202
Loa Loa (eye worm) hypothetical protein 0.0081 0.3118 1
Echinococcus multilocularis acetylcholinesterase 0.0067 0.202 0.1406
Chlamydia trachomatis sulfite reductase 0.005 0.0714 0.5
Leishmania major p450 reductase, putative 0.0081 0.3118 1
Brugia malayi Carboxylesterase family protein 0.0067 0.202 0.543
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0081 0.3118 1
Echinococcus granulosus carboxylesterase 5A 0.0067 0.202 0.1406
Echinococcus multilocularis carboxylesterase 5A 0.0067 0.202 0.1406
Brugia malayi flavodoxin family protein 0.0081 0.3118 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0081 0.3118 0.5
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0081 0.3118 0.5
Echinococcus granulosus acetylcholinesterase 0.0067 0.202 0.1406
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0081 0.3118 0.2589
Loa Loa (eye worm) hypothetical protein 0.0067 0.202 0.543
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0081 0.3118 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0081 0.3118 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0067 0.202 0.543
Trypanosoma cruzi p450 reductase, putative 0.0081 0.3118 0.5
Plasmodium falciparum nitric oxide synthase, putative 0.0081 0.3118 0.5
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0081 0.3118 0.2589
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0081 0.3118 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.0081 0.3118 1
Giardia lamblia Hypothetical protein 0.0072 0.2404 0.5
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.005 0.0714 0.0714
Giardia lamblia Nitric oxide synthase, inducible 0.0072 0.2404 0.5
Schistosoma mansoni hypothetical protein 0.0169 1 1
Brugia malayi FAD binding domain containing protein 0.0081 0.3118 1
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0081 0.3118 0.2589
Schistosoma mansoni cytochrome P450 reductase 0.0081 0.3118 0.3118
Trichomonas vaginalis sulfite reductase, putative 0.0081 0.3118 1
Loa Loa (eye worm) carboxylesterase 0.0067 0.202 0.543

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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