Detailed information for compound 373515

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 207.231 | Formula: C13H9N3
  • H donors: 1 H acceptors: 0 LogP: 2.74 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: [N-]=[N+]=C1c2ccccc2c2c1cccc2N
  • InChi: 1S/C13H9N3/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)16-15/h1-7H,14H2
  • InChiKey: OTECSHSVNJPQLT-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
Loa Loa (eye worm) histone deacetylase 0.0208 0.4027 0.4027
Giardia lamblia Histone deacetylase 0.0231 0.4959 0.5
Loa Loa (eye worm) hypothetical protein 0.0356 1 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0356 1 1
Echinococcus granulosus histone deacetylase 3 0.0231 0.4959 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.1365 0.1365
Echinococcus granulosus histone deacetylase 6 0.0208 0.4027 0.611
Trichomonas vaginalis histone deacetylase, putative 0.0231 0.4959 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0231 0.4959 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0231 0.4959 0.5
Onchocerca volvulus 0.0172 0.2562 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0231 0.4959 0.5
Onchocerca volvulus Subfamily M14A unassigned peptidase homolog 0.0172 0.2562 0.5
Trypanosoma brucei histone deacetylase 1 0.0231 0.4959 0.1561
Echinococcus granulosus histone deacetylase 6 0.0214 0.4268 0.7117
Echinococcus granulosus histone deacetylase 1 0.0231 0.4959 1
Echinococcus multilocularis histone deacetylase 6 0.0208 0.4027 0.611
Schistosoma mansoni histone deacetylase 0.0231 0.4959 1
Loa Loa (eye worm) histone deacetylase 7A 0.0208 0.4027 0.4027
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0231 0.4959 0.5
Plasmodium vivax histone deacetylase 1, putative 0.0231 0.4959 1
Echinococcus multilocularis histone deacetylase 7 0.0208 0.4027 0.611
Loa Loa (eye worm) hypothetical protein 0.0115 0.0241 0.0241
Loa Loa (eye worm) histone deacetylase 1 0.0231 0.4959 0.4959
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.4844 0.9521
Onchocerca volvulus 0.0172 0.2562 0.5
Onchocerca volvulus 0.0172 0.2562 0.5
Trypanosoma cruzi histone deacetylase 1, putative 0.0231 0.4959 0.1561
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0356 1 1
Loa Loa (eye worm) hypothetical protein 0.0228 0.4844 0.4844
Brugia malayi hypothetical protein 0.0228 0.4844 0.1369
Leishmania major C-8 sterol isomerase-like protein 0.0356 1 1
Plasmodium falciparum histone deacetylase 1 0.0231 0.4959 1
Toxoplasma gondii histone deacetylase HDAC3 0.0231 0.4959 1
Echinococcus granulosus histone deacetylase 7 0.0208 0.4027 0.611
Echinococcus multilocularis histone deacetylase 3 0.0231 0.4959 1
Brugia malayi Histone deacetylase 1 0.0231 0.4959 0.1561
Echinococcus multilocularis histone deacetylase 6 0.0208 0.4027 0.611
Echinococcus multilocularis histone deacetylase 6 0.0214 0.4268 0.7117
Trichomonas vaginalis histone deacetylase, putative 0.0231 0.4959 0.5
Echinococcus multilocularis histone deacetylase 1 0.0231 0.4959 1
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.4844 0.9521
Trypanosoma cruzi histone deacetylase 1, putative 0.0231 0.4959 0.1561
Schistosoma mansoni histone deacetylase 4 5 0.0208 0.4027 0.611
Trichomonas vaginalis histone deacetylase, putative 0.0231 0.4959 0.5
Brugia malayi histone deacetylase 3 (HD3) 0.0231 0.4959 0.1561
Schistosoma mansoni histone deacetylase hda2 0.0214 0.4268 0.7117
Loa Loa (eye worm) hypothetical protein 0.0231 0.4959 0.4959
Loa Loa (eye worm) hypothetical protein 0.0182 0.2956 0.2956
Leishmania major histone deacetylase, putative 0.0231 0.4959 0.1561
Loa Loa (eye worm) histone deacetylase 3 0.0231 0.4959 0.4959
Schistosoma mansoni histone deacetylase 4 5 0.0208 0.4027 0.611
Toxoplasma gondii histone deacetylase HDAC2 0.0231 0.4959 1
Entamoeba histolytica histone deacetylase, putative 0.0231 0.4959 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0231 0.4959 0.5
Brugia malayi histone deacetylase 1 (HD1) 0.0231 0.4959 0.1561
Echinococcus granulosus histone deacetylase 0.0208 0.4027 0.611
Leishmania major histone deacetylase, putative 0.0231 0.4959 0.1561
Trichomonas vaginalis histone deacetylase, putative 0.0231 0.4959 0.5
Echinococcus granulosus histone deacetylase 6 0.0208 0.4027 0.611
Schistosoma mansoni histone deacetylase 0.0231 0.4959 1
Echinococcus multilocularis histone deacetylase 0.0208 0.4027 0.611
Onchocerca volvulus 0.0172 0.2562 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) 0 Cleavage of supercoiled DNA plasmid pBR322 after 2 days ChEMBL. 16870443
Activity (binding) 0 Cleavage of supercoiled DNA plasmid pBR322 after 2 days in presence of dithiothreitol ChEMBL. 16870443
Activity (binding) = 18 % Conversion of type 1 supercoiled DNA to type 2 nicked DNA in presence of dithiothreitol ChEMBL. 16870443
Activity (binding) = 44 % Conversion of type 1 supercoiled DNA to type 2 nicked DNA ChEMBL. 16870443
Activity (binding) = 64 % Conversion of type 1 supercoiled DNA to type 2 nicked DNA in presence of dithiothreitol relative to Kinamycin D ChEMBL. 16870443

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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