Detailed information for compound 1656479

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.429 | Formula: C23H19N5O2
  • H donors: 0 H acceptors: 4 LogP: 4.59 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccc2c(c1)c1ccccc1n2C)n1nnc(c1)c1ccccc1[N+](=O)[O-]
  • InChi: 1S/C23H19N5O2/c1-15(27-14-20(24-25-27)18-8-4-6-10-23(18)28(29)30)16-11-12-22-19(13-16)17-7-3-5-9-21(17)26(22)2/h3-15H,1-2H3
  • InChiKey: FPEUHIIHPMTKPI-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) hypothetical protein 0.0056 0.0404 0.0444
Plasmodium falciparum protein serine/threonine kinase-1 0.0069 0.0537 0.5
Schistosoma mansoni cell adhesion molecule 0.0063 0.0476 0.0522
Brugia malayi Protein kinase domain containing protein 0.0069 0.0537 0.0589
Echinococcus granulosus cyclin g associated kinase 0.0952 0.9113 0.9113
Loa Loa (eye worm) hypothetical protein 0.0063 0.0476 0.0522
Echinococcus granulosus roundabout 2 0.007 0.0542 0.0542
Echinococcus granulosus dual specificity protein kinase clk2 0.0069 0.0537 0.0537
Schistosoma mansoni serine/threonine protein kinase 0.0952 0.9113 1
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0069 0.0537 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.0404 0.0444
Loa Loa (eye worm) STE/STE11/MEKK2 protein kinase 0.0016 0.0016 0.0018
Onchocerca volvulus 0.0016 0.0016 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0404 0.0444
Loa Loa (eye worm) NAK/GAK protein kinase 0.0952 0.9113 1
Echinococcus multilocularis cyclin g associated kinase 0.0952 0.9113 1
Trichomonas vaginalis pten, drome, putative 0.0095 0.0782 1
Brugia malayi Fibronectin type III domain containing protein 0.0056 0.0404 0.0444
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0069 0.0537 0.0589
Trypanosoma cruzi tyrosine phosphatase, putative 0.0095 0.0782 1
Schistosoma mansoni pten 0.0095 0.0782 0.0859
Plasmodium vivax formin 2, putative 0.0095 0.0782 1
Schistosoma mansoni vesicular amine transporter 0.0056 0.0404 0.0444
Echinococcus multilocularis Immunoglobulin 0.0056 0.0404 0.0444
Schistosoma mansoni tensin 0.0095 0.0782 0.0859
Loa Loa (eye worm) TK/KIN16 protein kinase 0.007 0.054 0.0592
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0056 0.0404 0.0444
Trypanosoma cruzi tyrosine phosphatase isoform, putative 0.0095 0.0782 1
Echinococcus granulosus neuroglian 0.0063 0.0471 0.0471
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0016 0.0016 0.0018
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0056 0.0404 0.0444
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.0537 0.0589
Loa Loa (eye worm) hypothetical protein 0.0056 0.0404 0.0444
Echinococcus granulosus hypothetical protein 0.0064 0.0488 0.0488
Brugia malayi daf-18 protein 0.0095 0.0782 0.0859
Trypanosoma cruzi tyrosine phosphatase isoform, putative 0.0095 0.0782 1
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0069 0.0537 0.5
Loa Loa (eye worm) hypothetical protein 0.0095 0.0782 0.0859
Leishmania major tyrosine phosphatase isoform, putative 0.0095 0.0782 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0063 0.0476 0.0476
Brugia malayi Protein kinase domain containing protein 0.0016 0.0016 0.0018
Brugia malayi Immunoglobulin I-set domain containing protein 0.007 0.054 0.0592
Schistosoma mansoni nephrin 0.0063 0.0471 0.0516
Echinococcus granulosus phosphatase and tensin 0.0095 0.0782 0.0782
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0056 0.0404 0.0444
Loa Loa (eye worm) hypothetical protein 0.007 0.0542 0.0594
Loa Loa (eye worm) hypothetical protein 0.007 0.0542 0.0594
Echinococcus multilocularis phosphatase and tensin 0.0095 0.0782 0.0859
Echinococcus multilocularis 0.0064 0.0488 0.0536
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0019 0.0048 0.0053
Echinococcus multilocularis Immunoglobulin 0.0056 0.0404 0.0444
Echinococcus granulosus twitchin 0.0068 0.0519 0.0519
Brugia malayi Protein kinase domain containing protein 0.0952 0.9113 1
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.0537 0.0589
Loa Loa (eye worm) hypothetical protein 0.0056 0.0404 0.0444
Loa Loa (eye worm) hypothetical protein 0.0853 0.8145 0.8938
Loa Loa (eye worm) hypothetical protein 0.0064 0.0488 0.0536
Brugia malayi Immunoglobulin I-set domain containing protein 0.0056 0.0404 0.0444
Echinococcus granulosus Immunoglobulin 0.0056 0.0404 0.0404
Echinococcus granulosus defective proboscis extension response 0.0056 0.0404 0.0404
Entamoeba histolytica hypothetical protein 0.0095 0.0782 0.5
Schistosoma mansoni tyrosine kinase 0.0021 0.0064 0.007
Echinococcus multilocularis roundabout 2 0.007 0.0542 0.0594
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0095 0.0782 0.5
Schistosoma mansoni atypical protein kinase C 0.0016 0.0016 0.0018
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0069 0.0537 0.5
Echinococcus multilocularis dual specificity protein kinase clk2 0.0069 0.0537 0.0589
Loa Loa (eye worm) hypothetical protein 0.0056 0.0404 0.0444
Entamoeba histolytica phosphatidylinositol-3,4,5-trisphosphate 3-phosphatase, putative 0.0095 0.0782 0.5
Giardia lamblia Kinase, CMGC CLK 0.0069 0.0537 0.5
Brugia malayi hypothetical protein 0.0056 0.0404 0.0444
Echinococcus multilocularis neuroglian 0.0063 0.0471 0.0516

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.
 
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

No literature references available for this target.

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