Detailed information for compound 945050

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 355.389 | Formula: C22H17N3O2
  • H donors: 1 H acceptors: 2 LogP: 5.01 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)c1ccc(o1)c1noc(n1)Cc1c[nH]c2c1cccc2
  • InChi: 1S/C22H17N3O2/c1-14-5-4-6-15(11-14)19-9-10-20(26-19)22-24-21(27-25-22)12-16-13-23-18-8-3-2-7-17(16)18/h2-11,13,23H,12H2,1H3
  • InChiKey: MKSFRRCCGLAFHI-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
Onchocerca volvulus 0.0182 1 1
Toxoplasma gondii hexokinase 0.0182 1 0.5
Loa Loa (eye worm) hexokinase 0.0182 1 1
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0168 0.9025 0.8985
Loa Loa (eye worm) hexokinase type II 0.0182 1 1
Trypanosoma brucei hexokinase 0.0182 1 1
Entamoeba histolytica hexokinase 2 0.0182 1 1
Trypanosoma cruzi hexokinase, putative 0.0182 1 1
Treponema pallidum hexokinase (hxk) 0.0182 1 0.5
Echinococcus granulosus hexokinase 0.0182 1 1
Echinococcus multilocularis hexokinase 0.0182 1 1
Echinococcus multilocularis hexokinase 0.0182 1 1
Brugia malayi hexokinase type II 0.0058 0.14 0.1045
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.0397 0.0397
Plasmodium falciparum hexokinase 0.0182 1 0.5
Brugia malayi Hexokinase family protein 0.0182 1 1
Loa Loa (eye worm) hexokinase 0.0114 0.5302 0.5302
Echinococcus granulosus hexokinase 0.0182 1 1
Trypanosoma brucei hexokinase, putative 0.0182 1 1
Giardia lamblia Rrm3p helicase 0.0168 0.9025 0.5
Onchocerca volvulus 0.0182 1 1
Entamoeba histolytica hexokinase 1 0.0182 1 1
Echinococcus granulosus hexokinase type 2 0.0182 1 1
Schistosoma mansoni hypothetical protein 0.0168 0.9025 0.8955
Plasmodium vivax hexokinase, putative 0.0182 1 0.5
Echinococcus multilocularis hexokinase type 2 0.0182 1 1
Schistosoma mansoni hexokinase 0.0182 1 1
Leishmania major hexokinase, putative 0.0182 1 1
Echinococcus multilocularis hexokinase 0.0182 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0168 0.9025 1
Trypanosoma cruzi hexokinase, putative 0.0182 1 1
Brugia malayi Hexokinase family protein 0.0056 0.1293 0.0933
Leishmania major hexokinase, putative 0.0182 1 1
Onchocerca volvulus 0.0182 1 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.5991 0.5991
Loa Loa (eye worm) hypothetical protein 0.0058 0.14 0.14
Trypanosoma brucei hexokinase 0.0182 1 1
Loa Loa (eye worm) hexokinase 0.0056 0.1293 0.1293
Loa Loa (eye worm) hexokinase 0.0182 1 1
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0168 0.9025 0.8985
Loa Loa (eye worm) hypothetical protein 0.0058 0.14 0.14
Echinococcus granulosus hexokinase 0.0182 1 1
Brugia malayi Hexokinase family protein 0.0114 0.5302 0.5108

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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