Detailed information for compound 1996757

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 436.374 | Formula: C20H14F2N8O2
  • H donors: 2 H acceptors: 6 LogP: 1.59 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=N/n1cc([nH]c1=O)O)/c1ccc2n(n1)c(nn2)C(c1ccc2c(c1)cccn2)(F)F
  • InChi: 1S/C20H14F2N8O2/c1-11(27-29-10-17(31)24-19(29)32)14-6-7-16-25-26-18(30(16)28-14)20(21,22)13-4-5-15-12(9-13)3-2-8-23-15/h2-10,31H,1H3,(H,24,32)/b27-11-
  • InChiKey: OWZKMIGWAMHMJM-BCHBDCPOSA-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
Schistosoma mansoni hypothetical protein 0.0012 0 0.0002
Brugia malayi plexin A 0.0025 0.1107 0.1107
Schistosoma mansoni plexin 0.0021 0.077 1
Echinococcus multilocularis plexin a4 0.0025 0.1107 0.1107
Trypanosoma brucei choline kinase 0.0012 0 0.5
Leishmania major choline kinase 0.0012 0 0.5
Trypanosoma cruzi choline ethanolamine kinase, putative 0.0012 0 0.5
Plasmodium vivax choline kinase, putative 0.0125 1 1
Echinococcus granulosus plexin a4 0.0025 0.1107 0.1107
Echinococcus granulosus choline:ethanolamine kinase 0.0125 1 1
Echinococcus multilocularis choline:ethanolamine kinase 0.0125 1 1
Onchocerca volvulus 0.0021 0.077 1
Plasmodium falciparum choline kinase 0.0125 1 1
Entamoeba histolytica choline/ethanolamine kinase, putative 0.0012 0 0.5
Toxoplasma gondii phosphotransferase enzyme family protein 0.0125 1 1
Trichomonas vaginalis choline/ethanolamine kinase, putative 0.0012 0 0.5
Giardia lamblia Ethanolamine kinase, putative 0.0012 0 0.5
Loa Loa (eye worm) choline/ethanolamine kinase 0.0125 1 1
Trypanosoma brucei choline/ethanolamine kinase 0.0012 0 0.5
Loa Loa (eye worm) plexin A 0.0025 0.1107 0.1107
Trypanosoma cruzi choline kinase 0.0012 0 0.5
Schistosoma mansoni plexin 0.0012 0 0.0002
Entamoeba histolytica choline/ethanolamine kinase, putative 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.077 0.077
Brugia malayi Plexin repeat family protein 0.0021 0.077 0.077
Leishmania major choline/ethanolamine kinase, putative 0.0012 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 10 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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