Detailed information for compound 660520

Basic information

Technical information
  • TDR Targets ID: 660520
  • Name: ZINC01143572
  • MW: 401.455 | Formula: C20H20FN3O3S
  • H donors: 1 H acceptors: 3 LogP: 4.23 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)F)CSc1nnc(o1)COc1ccc(cc1)C(C)C
  • InChi: 1S/C20H20FN3O3S/c1-13(2)14-3-9-17(10-4-14)26-11-19-23-24-20(27-19)28-12-18(25)22-16-7-5-15(21)6-8-16/h3-10,13H,11-12H2,1-2H3,(H,22,25)
  • InChiKey: KQYKOKAZFPRTIS-UHFFFAOYSA-N  

Network

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Synonyms

  • STK139752

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
Treponema pallidum sodium- and chloride- dependent transporter 0.017 0.7345 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0051 0.0861 0.1063
Loa Loa (eye worm) serotonin transporter b 0.017 0.7345 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0051 0.0861 0.1063
Loa Loa (eye worm) hypothetical protein 0.017 0.7345 1
Echinococcus multilocularis nmda type glutamate receptor 0.0176 0.7674 0.9482
Echinococcus granulosus nmda type glutamate receptor 0.0176 0.7674 0.9482
Brugia malayi Sodium:neurotransmitter symporter family protein 0.017 0.7345 1
Echinococcus multilocularis nmda type glutamate receptor 0.0184 0.8094 1
Echinococcus multilocularis serotonin transporter 0.017 0.7345 0.9075
Echinococcus granulosus glutamate NMDA receptor subunit 0.0043 0.0419 0.0518
Echinococcus granulosus nmda type glutamate receptor 0.0184 0.8094 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0051 0.0861 0.1063
Loa Loa (eye worm) norepinephrine transporter 0.017 0.7345 1
Echinococcus multilocularis glutamate receptor 2 0.0051 0.0861 0.1063
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.017 0.7345 0.7229
Echinococcus multilocularis glutamate receptor 2 0.0043 0.0419 0.0518
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0051 0.0861 0.1063
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0051 0.0861 0.1063
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0051 0.0861 0.1063
Loa Loa (eye worm) hypothetical protein 0.017 0.7345 1
Onchocerca volvulus 0.017 0.7345 0.5
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0051 0.0861 0.1063
Loa Loa (eye worm) hypothetical protein 0.017 0.7345 1
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0043 0.0419 0.0518
Echinococcus granulosus serotonin transporter 0.017 0.7345 0.9075
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0051 0.0861 0.1063
Echinococcus multilocularis glutamate receptor NMDA 0.0168 0.7233 0.8937
Echinococcus granulosus glutamate receptor 2 0.0051 0.0861 0.1063
Loa Loa (eye worm) solute carrier family 6 member 4 0.017 0.7345 1
Echinococcus granulosus glutamate receptor NMDA 0.0168 0.7233 0.8937
Schistosoma mansoni sodium/chloride dependent transporter 0.017 0.7345 0.7229

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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