Detailed information for compound 74916

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 227.179 | Formula: C10H5N5O2
  • H donors: 1 H acceptors: 4 LogP: -0.8 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc2c(c1)[n+]([O-])c(c([n+]2[O-])C#N)N
  • InChi: 1S/C10H5N5O2/c11-4-6-1-2-7-8(3-6)15(17)10(13)9(5-12)14(7)16/h1-3H,13H2
  • InChiKey: WVYNQPTVLWXFIB-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
Schistosoma mansoni sodium/solute symporter 0.0038 0.085 0.0908
Loa Loa (eye worm) hypothetical protein 0.0038 0.085 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.029 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0433 0.5091
Treponema pallidum fructose-bisphosphate aldolase 0.029 1 0.5
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0038 0.085 0.0908
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 1 0.5
Schistosoma mansoni inositol transporter 0.0148 0.485 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 1 0.5
Schistosoma mansoni high-affinity choline transporter 0.0038 0.085 0.0908
Echinococcus granulosus high affinity choline transporter 1 0.0038 0.085 0.0908
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 1 0.5
Echinococcus granulosus solute carrier family 5 0.0148 0.485 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 1 0.5
Brugia malayi intermediate filament protein 0.0027 0.0451 0.53
Loa Loa (eye worm) hypothetical protein 0.0027 0.0451 0.53
Mycobacterium leprae conserved hypothetical protein 0.0169 0.5589 1
Brugia malayi Sodium:solute symporter family protein 0.0038 0.085 1
Mycobacterium ulcerans hypothetical protein 0.0169 0.5589 1
Giardia lamblia Fructose-bisphosphate aldolase 0.029 1 0.5
Echinococcus granulosus sodium:myo inositol cotransporter 0.0148 0.485 1
Echinococcus multilocularis high affinity choline transporter 1 0.0038 0.085 0.0908
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0038 0.085 0.0908
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0038 0.085 0.5
Brugia malayi GH02984p 0.0038 0.085 1
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0148 0.485 1
Onchocerca volvulus 0.0038 0.085 1
Mycobacterium tuberculosis Conserved protein 0.0169 0.5589 1
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0148 0.485 1
Echinococcus granulosus sodium:glucose cotransporter 2 0.0148 0.485 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0451 0.53
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 1 0.5
Mycobacterium ulcerans hypothetical protein 0.0169 0.5589 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.085 1
Echinococcus granulosus sodium:glucose cotransporter 0.0148 0.485 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0451 0.53
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0451 0.53
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 1 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 1 0.5
Echinococcus multilocularis solute carrier family 5 0.0148 0.485 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 1 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0169 0.5589 1
Schistosoma mansoni inositol transporter 0.0148 0.485 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 11 uM The compound was tested for potency by measuring the concentration (micromolar) that gives 1% clonogenic cell survival in hypoxia ChEMBL. 7752202
Selectivity (ADMET) = 50 Hypoxia cytotoxicity ratio (dose in air / hypoxia giving 99% of cell killing) ChEMBL. 7752202

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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