Detailed information for compound 1996761

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 400.393 | Formula: C20H16N8O2
  • H donors: 2 H acceptors: 6 LogP: 1.41 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=N/n1cc([nH]c1=O)O)/c1ccc2n(n1)c(nn2)Cc1ccc2c(c1)cccn2
  • InChi: 1S/C20H16N8O2/c1-12(25-27-11-19(29)22-20(27)30)15-6-7-17-23-24-18(28(17)26-15)10-13-4-5-16-14(9-13)3-2-8-21-16/h2-9,11,29H,10H2,1H3,(H,22,30)/b25-12-
  • InChiKey: MLRGGSSDNYDYCM-ROTLSHHCSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens MET proto-oncogene, receptor tyrosine kinase Starlite/ChEMBL No references

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 0.0025 0.0993 0.0901
Entamoeba histolytica choline/ethanolamine kinase, putative 0.0013 0.01 0.5
Schistosoma mansoni choline/ethanolamine kinase 0.0013 0.01 0.1452
Loa Loa (eye worm) plexin A 0.0025 0.0993 0.0993
Trypanosoma cruzi choline ethanolamine kinase, putative 0.0013 0.01 0.5
Loa Loa (eye worm) choline Kinase A 0.0013 0.01 0.01
Schistosoma mansoni choline kinase 0.0013 0.01 0.1452
Loa Loa (eye worm) choline/ethanolamine kinase 0.0138 1 1
Trypanosoma cruzi choline kinase 0.0013 0.01 0.5
Loa Loa (eye worm) choline/ethanolamine kinase 0.0013 0.01 0.01
Brugia malayi Plexin repeat family protein 0.0021 0.069 0.0596
Schistosoma mansoni plexin 0.0021 0.069 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.01 0.01
Onchocerca volvulus 0.0021 0.069 1
Brugia malayi plexin A 0.0025 0.0993 0.0901
Echinococcus granulosus plexin a4 0.0025 0.0993 0.0901
Leishmania major choline kinase 0.0013 0.01 0.5
Leishmania major choline/ethanolamine kinase, putative 0.0013 0.01 0.5
Plasmodium falciparum choline kinase 0.0138 1 1
Giardia lamblia Ethanolamine kinase, putative 0.0013 0.01 0.5
Echinococcus granulosus choline:ethanolamine kinase 0.0138 1 1
Trypanosoma brucei choline kinase 0.0013 0.01 0.5
Trypanosoma brucei choline/ethanolamine kinase 0.0013 0.01 0.5
Plasmodium vivax choline kinase, putative 0.0138 1 1
Entamoeba histolytica choline/ethanolamine kinase, putative 0.0013 0.01 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.069 0.069
Toxoplasma gondii phosphotransferase enzyme family protein 0.0138 1 1
Echinococcus multilocularis choline:ethanolamine kinase 0.0138 1 1
Schistosoma mansoni choline/ethanolamine kinase 0.0013 0.01 0.1452
Trichomonas vaginalis choline/ethanolamine kinase, putative 0.0013 0.01 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4 nM BindingDB_Patents: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay. The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners. ChEMBL. No reference

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

No literature references available for this target.

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