Detailed information for compound 992164

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 270.24 | Formula: C14H10N2O4
  • H donors: 1 H acceptors: 4 LogP: 2.11 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1ccc(cc1)Oc1ccc(cc1C#N)[N+](=O)[O-]
  • InChi: 1S/C14H10N2O4/c15-8-11-7-12(16(18)19)3-6-14(11)20-13-4-1-10(9-17)2-5-13/h1-7,17H,9H2
  • InChiKey: KCQVRSSRPKUPAO-UHFFFAOYSA-N  

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 diuretic hormone 44 receptor GPRdih2 0.0048 0.2668 0.3207
Schistosoma mansoni hypothetical protein 0.0048 0.2668 0.295
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.8318 0.9197
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.2668 0.295
Loa Loa (eye worm) intermediate filament protein 0.0113 0.7302 0.7302
Schistosoma mansoni hypothetical protein 0.0048 0.2668 0.295
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0054 0.3148 0.3785
Schistosoma mansoni hypothetical protein 0.0048 0.2668 0.295
Onchocerca volvulus 0.0113 0.7302 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.7555 0.7555
Brugia malayi MH2 domain containing protein 0.0116 0.7555 0.7555
Loa Loa (eye worm) hypothetical protein 0.015 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 1 1
Echinococcus multilocularis lamin 0.0113 0.7302 0.8074
Schistosoma mansoni lamin 0.0113 0.7302 0.8074
Brugia malayi Intermediate filament tail domain containing protein 0.0113 0.7302 0.7302
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.6606 0.6606
Schistosoma mansoni thyroid hormone receptor 0.0137 0.9044 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.2668 0.3207
Loa Loa (eye worm) hypothetical protein 0.0052 0.3002 0.3002
Schistosoma mansoni hypothetical protein 0.0127 0.8318 0.9197
Schistosoma mansoni hypothetical protein 0.0048 0.2668 0.295
Echinococcus multilocularis musashi 0.0113 0.7302 0.8074
Schistosoma mansoni thyroid hormone receptor 0.0137 0.9044 1
Brugia malayi intermediate filament protein 0.0113 0.7302 0.7302
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0054 0.3148 0.3481
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0113 0.7302 0.7302
Echinococcus granulosus intermediate filament protein 0.0113 0.7302 0.8779
Brugia malayi Latrophilin receptor protein 2 0.0048 0.2668 0.2668
Echinococcus multilocularis lamin dm0 0.0113 0.7302 0.8074
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.006 0.3575 0.3575
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.2668 0.295
Echinococcus multilocularis GPCR, family 2 0.0048 0.2668 0.295
Echinococcus granulosus lamin 0.0113 0.7302 0.8779
Onchocerca volvulus 0.0113 0.7302 1
Echinococcus granulosus lamin dm0 0.0113 0.7302 0.8779
Loa Loa (eye worm) hypothetical protein 0.0048 0.2668 0.2668
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.7555 0.7555
Loa Loa (eye worm) hypothetical protein 0.0103 0.6606 0.6606
Echinococcus multilocularis thyroid hormone receptor alpha 0.0137 0.9044 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 1 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.7302 0.7302
Schistosoma mansoni hypothetical protein 0.0103 0.6606 0.7305
Loa Loa (eye worm) hypothetical protein 0.0052 0.3002 0.3002
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.2668 0.2668
Loa Loa (eye worm) hypothetical protein 0.0054 0.3148 0.3148
Brugia malayi cytoplasmic intermediate filament protein 0.006 0.3575 0.3575
Echinococcus granulosus GPCR family 2 0.0048 0.2668 0.3207
Loa Loa (eye worm) hypothetical protein 0.0111 0.7155 0.7155
Schistosoma mansoni lamin 0.0113 0.7302 0.8074
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.8318 1
Schistosoma mansoni intermediate filament proteins 0.0113 0.7302 0.8074
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.2668 0.2668

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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