Detailed information for compound 1008432

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 242.273 | Formula: C14H14N2O2
  • H donors: 0 H acceptors: 2 LogP: 2.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)/C=C\n1cnc(c1)c1ccccc1
  • InChi: 1S/C14H14N2O2/c1-2-18-14(17)8-9-16-10-13(15-11-16)12-6-4-3-5-7-12/h3-11H,2H2,1H3/b9-8-
  • InChiKey: BEKFBSWUSPGORQ-HJWRWDBZSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.2216 0.5015
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.1907 0.5
Brugia malayi RNA binding protein 0.0065 0.4419 0.4419
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4419 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.2216 0.5
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.2216 0.5015
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.2216 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.2216 0.5
Schistosoma mansoni inositol monophosphatase 0.0037 0.2216 0.5015
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.2216 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.2216 0.5
Echinococcus granulosus tar DNA binding protein 0.0065 0.4419 1
Loa Loa (eye worm) transcription factor SMAD2 0.0135 1 1
Loa Loa (eye worm) RNA binding protein 0.0065 0.4419 0.4419
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4419 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.2216 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.2216 0.5
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.2216 0.5
Brugia malayi Inositol-1 0.0037 0.2216 0.2216
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.4419 0.4419
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.2216 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4419 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.2216 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 1 1
Echinococcus multilocularis tar DNA binding protein 0.0065 0.4419 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.1907 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4419 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4419 1
Brugia malayi TAR-binding protein 0.0065 0.4419 0.4419
Schistosoma mansoni inositol monophosphatase 0.0037 0.2216 0.5015
Loa Loa (eye worm) TAR-binding protein 0.0065 0.4419 0.4419
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.4419 0.4419
Loa Loa (eye worm) inositol-1 0.0037 0.2216 0.2216
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.2216 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of CRM1-mediated nucleocytoplasmic transport of RevM5 mutant in HEK293 cells assessed as RevM5-GFP nuclear localization at 0.4 ug/ml after 2 hrs by fluorescence microscopy ChEMBL. 18835718
Activity (binding) Inhibition of CRM1-mediated nucleocytoplasmic transport of RevM5 mutant in HEK293 cells assessed as RevM5-GFP nuclear localization at 0.08 ug/ml after 2 hrs by fluorescence microscopy ChEMBL. 18835718
Activity (binding) Inhibition of CRM1-mediated nucleocytoplasmic transport of RevM5 mutant in HEK293 cells assessed as RevM5-GFP nuclear localization at 10 ug/ml after 2 hrs by fluorescence microscopy ChEMBL. 18835718

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

1 literature reference was collected for this gene.

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