Detailed information for compound 75220

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 221.216 | Formula: C9H11N5O2
  • H donors: 1 H acceptors: 3 LogP: -1.01 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccc2c(c1)[n+]([O-])c(n[n+]2[O-])N)C
  • InChi: 1S/C9H11N5O2/c1-12(2)6-3-4-7-8(5-6)13(15)9(10)11-14(7)16/h3-5H,1-2H3,(H2,10,11)
  • InChiKey: CEITVJCBVHLYGP-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 voltage gated sodium channel Nav1 alpha subunit 0.0049 0.0823 0.1659
Echinococcus granulosus voltage dependent calcium channel 0.0115 0.2798 0.6106
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0331 0.0331
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0115 0.2798 0.588
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0115 0.2798 0.588
Loa Loa (eye worm) hypothetical protein 0.0032 0.0313 0.0313
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0331 0.0331
Onchocerca volvulus 0.0032 0.0331 0.5
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.007 0.1455 0.5
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0115 0.2798 0.6106
Echinococcus multilocularis voltage dependent calcium channel 0.0115 0.2798 0.588
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0115 0.2798 0.588
Loa Loa (eye worm) hypothetical protein 0.0032 0.0331 0.0331
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0115 0.2798 0.588
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0115 0.2798 0.6106
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.007 0.1455 0.5
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0115 0.2798 0.588
Loa Loa (eye worm) voltage-dependent calcium channel beta 2a subunit 0.0355 1 1
Echinococcus granulosus lamin 0.0032 0.0331 0.055
Toxoplasma gondii transporter, cation channel family protein 0.0024 0.0087 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0115 0.2798 0.588
Schistosoma mansoni high voltage-activated calcium channel beta subunit 2 0.0172 0.4527 1
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0115 0.2798 0.2552
Echinococcus granulosus high voltage activated calcium channel beta 0.0172 0.4527 1
Loa Loa (eye worm) voltage-dependent calcium channel 0.0024 0.0087 0.0087
Echinococcus multilocularis high voltage activated calcium channel beta 0.0172 0.4527 1
Echinococcus multilocularis sodium channel protein 0.0049 0.0823 0.1173
Onchocerca volvulus 0.0032 0.0331 0.5
Schistosoma mansoni voltage-gated cation channel 0.0115 0.2798 0.588
Echinococcus multilocularis voltage dependent calcium channel 0.0115 0.2798 0.588
Echinococcus granulosus intermediate filament protein 0.0032 0.0331 0.055
Loa Loa (eye worm) calcium channel 0.0115 0.2798 0.2798
Echinococcus granulosus lamin dm0 0.0032 0.0331 0.055
Schistosoma mansoni hypothetical protein 0.0062 0.1214 0.2105
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0115 0.2798 0.6106
Loa Loa (eye worm) hypothetical protein 0.0024 0.0087 0.0087
Loa Loa (eye worm) hypothetical protein 0.0115 0.2798 0.2798

Activities

Activity type Activity value Assay description Source Reference
C10 (functional) > 440 uM Concentration required to reduce plating efficiency to 10 percent of controls, under hypoxic conditions in mouse SCCVII tumor cells. ChEMBL. 12502371
C10 (functional) = 440 uM Concentration required to reduce plating efficiency to 10 percent of controls, under aerobic conditions in mouse SCCVII tumor cells. ChEMBL. 12502371
HCR (functional) < 1 Intraexperimental difference between the hypoxic and aerobic cytotoxicity ChEMBL. 12502371
RHT (functional) < 0.023 Intraexperimental ratio of hypoxic TPZ C10 to hypoxic BTO C10 in mouse SCCVII tumor cells. ChEMBL. 12502371

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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