Detailed information for compound 849034

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 362.342 | Formula: C18H14N6O3
  • H donors: 2 H acceptors: 5 LogP: 2.67 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1C=NN=C(c1ccccn1)Nc1ccccn1)[N+](=O)[O-]
  • InChi: 1S/C18H14N6O3/c25-16-8-7-14(24(26)27)11-13(16)12-21-23-18(15-5-1-3-9-19-15)22-17-6-2-4-10-20-17/h1-12,25H,(H,20,22,23)/b21-12+
  • InChiKey: PTMYTTUWVRLXEF-CIAFOILYSA-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 ecdysone induced protein 78C 0.0053 0.0162 0.029
Schistosoma mansoni microtubule-associated protein tau 0.0672 0.5578 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0053 0.0162 0.029
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2185 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0053 0.0162 0.029
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0053 0.0162 0.029
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0053 0.0162 0.029
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0053 0.0162 0.029
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0053 0.0162 0.029
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0053 0.0162 0.0166
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0053 0.0162 0.0166
Schistosoma mansoni thyroid hormone receptor 0.0053 0.0162 0.029
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0053 0.0162 0.0166
Brugia malayi Steroid receptor seven-up type 2 0.0053 0.0162 0.0166
Echinococcus granulosus FTZ F1 alpha 0.0053 0.0162 0.029
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.2185 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0053 0.0162 0.0166
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0053 0.0162 0.0166
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0053 0.0162 0.029
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0053 0.0162 0.029
Loa Loa (eye worm) acetyltransferase 0.0141 0.0929 0.08
Schistosoma mansoni nuclear hormone receptor 0.0053 0.0162 0.029
Loa Loa (eye worm) nuclear receptor nhr-7B 0.1149 0.9753 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0053 0.0162 0.029
Brugia malayi photoreceptor-specific nuclear receptor 0.0053 0.0162 0.0166
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0053 0.0162 0.0166
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.0929 0.1666
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0057 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0053 0.0162 0.0166
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0053 0.0162 0.029
Echinococcus multilocularis thyroid hormone receptor alpha 0.0053 0.0162 0.029
Brugia malayi nuclear hormone receptor 0.1149 0.9753 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0053 0.0162 0.0166
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2185 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0053 0.0162 0.0166
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0053 0.0162 0.0166
Brugia malayi steroid hormone receptor 0.0053 0.0162 0.0166
Echinococcus granulosus microtubule associated protein 2 0.0672 0.5578 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0053 0.0162 0.029
Brugia malayi nuclear receptor NHR-88 0.0053 0.0162 0.0166
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.0911 0.5
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.0911 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2185 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0053 0.0162 0.029
Giardia lamblia Fructose-bisphosphate aldolase 0.0285 0.2185 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0053 0.0162 0.029
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.0929 0.0953
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2185 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0053 0.0162 0.029
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0057 0.0102
Schistosoma mansoni coup transcription factor 0.0053 0.0162 0.029
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0053 0.0162 0.0166
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2185 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0026 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0057 0.5
Brugia malayi ecdysteroid receptor 0.0053 0.0162 0.0166
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0053 0.0162 0.0166
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0053 0.0162 0.0166
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0053 0.0162 0.029
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0053 0.0162 0.029
Echinococcus multilocularis ecdysone induced protein 78C 0.0053 0.0162 0.029
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0053 0.0162 0.029
Treponema pallidum fructose-bisphosphate aldolase 0.0285 0.2185 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0053 0.0162 0.029
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2185 1
Echinococcus multilocularis microtubule associated protein 2 0.0672 0.5578 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.0911 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0057 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.0894 0.1604
Brugia malayi nuclear hormone receptor 0.0053 0.0162 0.0166
Schistosoma mansoni retinoic acid receptor RXR 0.0053 0.0162 0.029
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0053 0.0162 0.0166
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0053 0.0162 0.029
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2185 1
Loa Loa (eye worm) hypothetical protein 0.1124 0.9532 0.977
Schistosoma mansoni RAR-like nuclear receptor 0.0053 0.0162 0.029
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0053 0.0162 0.029
Schistosoma mansoni thyroid hormone receptor 0.0053 0.0162 0.029
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0053 0.0162 0.029
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0026 0.0121
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.0929 0.1666
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2185 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.2185 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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