Detailed information for compound 1512551

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.251 | Formula: C16H9F3N2O
  • H donors: 0 H acceptors: 3 LogP: 3.8 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1nc2ccccc2nc1C(F)(F)F)c1ccccc1
  • InChi: 1S/C16H9F3N2O/c17-16(18,19)15-13(14(22)10-6-2-1-3-7-10)20-11-8-4-5-9-12(11)21-15/h1-9H
  • InChiKey: XXAUMLOTDPHNOM-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 0.0003 0.00000011306 0.00000044659
Brugia malayi olfactory channel protein osm-9 0.0003 0.0017 0.0065
Schistosoma mansoni transient receptor potential channel 0.0003 0.00000011306 0.00000011306
Echinococcus multilocularis transient receptor potential cation channel 0.0003 0.0017 1
Loa Loa (eye worm) hypothetical protein 0.0003 0.00000011306 0.00000044659
Schistosoma mansoni transient receptor potential channel 0.0003 0.0017 0.0017
Echinococcus granulosus transient receptor potential cation channel 0.0003 0.00000011306 0.00000011306
Onchocerca volvulus 0.004 0.2532 1
Echinococcus granulosus short transient receptor potential channel 6 0.0003 0.0017 0.0017
Brugia malayi NADH dehydrogenase subunit 1 0.004 0.2532 1
Loa Loa (eye worm) NADH dehydrogenase subunit 1 0.004 0.2532 1
Brugia malayi NADH dehydrogenase subunit 1, identical 0.004 0.2532 1
Echinococcus multilocularis transient receptor potential cation channel 0.0003 0.0017 1
Schistosoma mansoni NADH dehydrogenase subunit 1 0.004 0.2532 0.2532
Echinococcus granulosus transient receptor potential cation channel 0.0003 0.00000011306 0.00000011306
Loa Loa (eye worm) hypothetical protein 0.0003 0.0017 0.0065
Onchocerca volvulus 0.004 0.2532 1
Schistosoma mansoni transient receptor potential channel 0.0003 0.00000011306 0.00000011306
Brugia malayi hypothetical protein 0.004 0.2532 1
Echinococcus multilocularis transient receptor potential cation channel 0.0003 0.00000011306 0.0001
Echinococcus multilocularis short transient receptor potential channel 6 0.0003 0.0017 0.9999
Echinococcus granulosus transient receptor potential cation channel 0.0003 0.0017 0.0017

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 49 % Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes assessed as growth inhibition at 25 uM after 5 days relative to control ChEMBL. 21506600

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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