Detailed information for compound 769631

Basic information

Technical information
  • TDR Targets ID: 769631
  • Name: propan-2-yl 2-methyl-5-[(3-nitrophenyl)methox y]-1-benzofuran-3-carboxylate
  • MW: 369.368 | Formula: C20H19NO6
  • H donors: 0 H acceptors: 3 LogP: 4.67 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)[N+](=O)[O-])cc2)C
  • InChi: 1S/C20H19NO6/c1-12(2)26-20(22)19-13(3)27-18-8-7-16(10-17(18)19)25-11-14-5-4-6-15(9-14)21(23)24/h4-10,12H,11H2,1-3H3
  • InChiKey: IZNPWQIBSWGYMU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • isopropyl 2-methyl-5-[(3-nitrophenyl)methoxy]benzofuran-3-carboxylate
  • 2-methyl-5-[(3-nitrophenyl)methoxy]-3-benzofurancarboxylic acid isopropyl ester
  • 2-methyl-5-(3-nitrobenzyl)oxy-benzofuran-3-carboxylic acid isopropyl ester
  • ST5038652
  • Oprea1_352237
  • ZINC00947173

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
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0018 0.0029
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0006 0.0018 0.5
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0006 0.0018 0.5
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0164 0.027
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0164 0.0241
Toxoplasma gondii hypothetical protein 0.0009 0.0164 0.5
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0164 0.0241
Brugia malayi DIX domain containing protein 0.0009 0.0164 0.0146
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2276 0.3727
Loa Loa (eye worm) hypothetical protein 0.0009 0.0164 0.0146
Schistosoma mansoni transcription factor LCR-F1 0.0111 0.6077 1
Schistosoma mansoni dishevelled 0.0009 0.0164 0.027
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2276 0.3745
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2276 0.3727
Loa Loa (eye worm) hypothetical protein 0.0009 0.0164 0.0146
Onchocerca volvulus 0.0009 0.0164 0.0146
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0179 1 1
Trichomonas vaginalis ras GTP exchange factor, putative 0.0006 0.0018 0.5
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0164 0.027
Entamoeba histolytica hypothetical protein 0.0111 0.6077 1
Entamoeba histolytica hypothetical protein 0.0111 0.6077 1
Trypanosoma cruzi hypothetical protein 0.0006 0.0018 0.5
Schistosoma mansoni dishevelled 0.0009 0.0164 0.027
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.2276 0.2262
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0018 0.0029
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0164 0.0146
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0164 0.0146
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0164 0.0241
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0164 0.0146
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.2276 0.2262
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0164 0.0241
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2276 0.3727
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0018 0.0029
Loa Loa (eye worm) hypothetical protein 0.0179 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2276 0.3745
Trichomonas vaginalis ras GTP exchange factor, putative 0.0006 0.0018 0.5
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0164 0.0241
Trypanosoma cruzi hypothetical protein 0.0006 0.0018 0.5
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0164 0.027
Schistosoma mansoni hypothetical protein 0.0111 0.6077 1
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0164 0.0241
Entamoeba histolytica hypothetical protein 0.0111 0.6077 1
Entamoeba histolytica hypothetical protein 0.0111 0.6077 1
Brugia malayi hypothetical protein 0.0009 0.0164 0.0146
Loa Loa (eye worm) hypothetical protein 0.0009 0.0164 0.0146
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0006 0.0018 0.0029
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0164 0.0146
Brugia malayi hypothetical protein 0.0111 0.6077 0.607
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0164 0.0241
Brugia malayi hypothetical protein 0.0009 0.0164 0.0146
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0164 0.0241
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0111 0.6077 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0164 0.0146
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2276 0.3727
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0164 0.0241
Schistosoma mansoni ras GTP exchange factor 0.0006 0.0018 0.0029
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0164 0.0146
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0111 0.6077 1
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0164 0.0241
Schistosoma mansoni dep domain containing protein 0.0009 0.0164 0.027
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2276 0.3745

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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