Detailed information for compound 979495

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 256.22 | Formula: C11H8N6O2
  • H donors: 2 H acceptors: 5 LogP: 1.31 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc(cc1)c1n[nH]c2c1c(N)ncn2
  • InChi: 1S/C11H8N6O2/c12-10-8-9(15-16-11(8)14-5-13-10)6-1-3-7(4-2-6)17(18)19/h1-5H,(H3,12,13,14,15,16)
  • InChiKey: RVPXAELUZDRFLN-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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 multilocularis plexin a4 0.0138 0.5224 0.5189
Loa Loa (eye worm) sema domain-containing protein 0.0049 0.1626 0.2348
Brugia malayi Sema domain containing protein 0.0049 0.1626 0.2348
Loa Loa (eye worm) hypothetical protein 0.0049 0.1626 0.2348
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0522 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0522 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.1626 0.1564
Echinococcus granulosus exocyst complex component 2 0.0021 0.0522 0.0453
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0522 0.5
Schistosoma mansoni plexin 0.0068 0.2398 0.2343
Entamoeba histolytica hypothetical protein 0.0021 0.0522 0.0522
Loa Loa (eye worm) hypothetical protein 0.0049 0.1626 0.2348
Echinococcus granulosus plexin a4 0.0138 0.5224 0.5189
Entamoeba histolytica hypothetical protein 0.0021 0.0522 0.0522
Entamoeba histolytica hypothetical protein 0.0021 0.0522 0.0522
Brugia malayi plexin A 0.0138 0.5224 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.2398 0.3991
Schistosoma mansoni hypothetical protein 0.0068 0.2398 0.2343
Brugia malayi hypothetical protein 0.0049 0.1626 0.2348
Loa Loa (eye worm) plexin A 0.0138 0.5224 1
Entamoeba histolytica cell surface protease gp63, putative 0.0021 0.0522 0.0522
Entamoeba histolytica protein kinase, putative 0.0256 1 1
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0021 0.0522 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0256 1 1
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0021 0.0522 0.5
Leishmania major protein kinase, putative 0.001 0.0073 0.5
Echinococcus granulosus semaphorin 5B 0.0049 0.1626 0.1564
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0256 1 1
Brugia malayi Sema domain containing protein 0.0049 0.1626 0.2348
Loa Loa (eye worm) sema domain-containing protein 0.0049 0.1626 0.2348
Schistosoma mansoni hypothetical protein 0.0021 0.0522 0.0453
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.0256 0.9996 0.9996
Brugia malayi hypothetical protein 0.0049 0.1626 0.2348
Schistosoma mansoni hypothetical protein 0.0021 0.0522 0.0453
Plasmodium falciparum protein kinase, putative 0.001 0.0073 0.5
Entamoeba histolytica tyrosin kinase, putative 0.0029 0.085 0.085
Echinococcus granulosus transcription factor collier 0.0021 0.0522 0.0453
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0522 0.5
Echinococcus granulosus semaphorin 1A 0.0049 0.1626 0.1564
Onchocerca volvulus 0.0116 0.4363 1
Schistosoma mansoni semaphorin 5-related 0.0049 0.1626 0.1564
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0021 0.0522 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.1626 0.1564
Entamoeba histolytica protein kinase domain containing protein 0.001 0.0073 0.0073
Brugia malayi Plexin repeat family protein 0.0116 0.4363 0.8169
Echinococcus multilocularis hypothetical protein 0.0049 0.1626 0.1564
Schistosoma mansoni plexin 0.0116 0.4363 0.4322
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.001 0.0073 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0021 0.0522 0.5
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.001 0.0073 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0522 0.5
Echinococcus multilocularis exocyst complex component 2 0.0021 0.0522 0.0453
Entamoeba histolytica protein kinase, putative 0.0256 1 1
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0021 0.0522 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0029 0.085 0.085
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.0256 0.9996 0.9996
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0522 0.5
Entamoeba histolytica hypothetical protein 0.0021 0.0522 0.0522
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.001 0.0073 0.5
Echinococcus multilocularis transcription factor collier 0.0021 0.0522 0.0453
Echinococcus multilocularis semaphorin 5B 0.0049 0.1626 0.1564
Loa Loa (eye worm) hypothetical protein 0.0049 0.1626 0.2348
Loa Loa (eye worm) hypothetical protein 0.0049 0.1626 0.2348
Trypanosoma brucei protein kinase, putative 0.001 0.0073 0.5
Loa Loa (eye worm) hypothetical protein 0.0116 0.4363 0.8169
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0522 0.5
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.001 0.0073 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.1626 0.2348
Schistosoma mansoni fibrocystin l 0.0021 0.0522 0.0453
Loa Loa (eye worm) hypothetical protein 0.0049 0.1626 0.2348

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of recombinant EphB4R by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) Inhibition of recombinant VEGFR2 by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) Inhibition of recombinant c-Src by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) Inhibition of recombinant PI4Kbeta by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) Inhibition of recombinant c-Abl by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) Inhibition of recombinant HCK by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) Inhibition of recombinant EGFR by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) = 100 uM Inhibition of recombinant PI3Kalpha by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) = 100 uM Inhibition of recombinant PI3Kbeta by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) = 100 uM Inhibition of recombinant PI3Kdelta by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) = 100 uM Inhibition of recombinant PI3Kgamma by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) = 100 uM Inhibition of DNA-PK by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.