Detailed information for compound 1749753

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 459.421 | Formula: C22H20F3N5O3
  • H donors: 0 H acceptors: 4 LogP: 2.94 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCC(N1Cc1cccc(c1)C(F)(F)F)(C)c1nnnn1c1ccc2c(c1)OCCO2
  • InChi: 1S/C22H20F3N5O3/c1-21(8-7-19(31)29(21)13-14-3-2-4-15(11-14)22(23,24)25)20-26-27-28-30(20)16-5-6-17-18(12-16)33-10-9-32-17/h2-6,11-12H,7-10,13H2,1H3
  • InChiKey: ODMNPCQIEIZIHA-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
Echinococcus granulosus transient receptor potential cation channel 0.1689 0.9991 1
Toxoplasma gondii transporter, cation channel family protein 0.0014 0 0.5
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0014 0 0.5
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0014 0 0.5
Toxoplasma gondii transporter, cation channel family protein 0.0014 0 0.5
Schistosoma mansoni transient receptor potential channel 0.0014 0.00000010478 0.00000010573
Leishmania major hypothetical protein, conserved 0.0014 0 0.5
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.1675 0.991 1
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0014 0 0.5
Echinococcus granulosus short transient receptor potential channel 6 0.0015 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0014 0.00000010478 0.0001
Echinococcus multilocularis short transient receptor potential channel 6 0.0015 0.0009 0.0009
Leishmania major hypothetical protein, unknown function 0.0014 0 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0015 0.0009 0.0009
Echinococcus granulosus transient receptor potential cation channel 0.0014 0.00000010478 0.00000010487
Onchocerca volvulus 0.0014 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.00000010478 0.0001
Echinococcus multilocularis ankyrin repeat protein 0.1675 0.991 0.991
Schistosoma mansoni transient receptor potential channel 0.0015 0.0009 0.0009
Echinococcus granulosus ankyrin repeat protein 0.1675 0.991 0.9919
Loa Loa (eye worm) hypothetical protein 0.0015 0.0009 1
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0014 0 0.5
Toxoplasma gondii hypothetical protein 0.0014 0 0.5
Schistosoma mansoni transient receptor potential channel 0.0014 0.00000010478 0.00000010573
Echinococcus granulosus transient receptor potential cation channel 0.0015 0.0009 0.0009
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0014 0 0.5
Toxoplasma gondii hypothetical protein 0.0014 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0014 0 0.5
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0014 0 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0014 0.00000010478 0.00000010478
Brugia malayi olfactory channel protein osm-9 0.0015 0.0009 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0014 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0014 0 0.5
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0014 0 0.5
Toxoplasma gondii transporter, cation channel family protein 0.0014 0 0.5

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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