Detailed information for compound 2070642

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 291.27 | Formula: C12H16F3N3O2
  • H donors: 0 H acceptors: 2 LogP: 1.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCCC(C1)n1cccn1)COCC(F)(F)F
  • InChi: 1S/C12H16F3N3O2/c13-12(14,15)9-20-8-11(19)17-5-1-3-10(7-17)18-6-2-4-16-18/h2,4,6,10H,1,3,5,7-9H2
  • InChiKey: IJBGGQQXFCMTCT-UHFFFAOYSA-N  


Substructure search Similarity search

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Onchocerca volvulus Arrow homolog 0.0026 0.0518 0.5
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0026 0.0518 0.0522
Loa Loa (eye worm) hypothetical protein 0.0217 0.9928 1
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0026 0.0518 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Brugia malayi Fibulin-1 precursor 0.0026 0.0518 1
Echinococcus granulosus laminin 0.0026 0.0518 0.0518
Loa Loa (eye worm) hypothetical protein 0.0026 0.0518 0.0522
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Toxoplasma gondii calcium binding egf domain-containing protein 0.0026 0.0518 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0015 0 0.5
Echinococcus multilocularis Tolloid protein 1 0.0026 0.0518 0.0518
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Brugia malayi Calcium binding EGF domain containing protein 0.0026 0.0518 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Echinococcus multilocularis fibrillin 1 0.0026 0.0518 0.0518
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0026 0.0518 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Leishmania major hypothetical protein, conserved 0.0079 0.3155 1
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.3011 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0518 0.0522
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Echinococcus granulosus Tolloid protein 1 0.0026 0.0518 0.0518
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Schistosoma mansoni egf-like domain protein 0.0026 0.0518 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0026 0.0518 0.0522
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0026 0.0518 0.0522
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0218 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0518 0.0522
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Toxoplasma gondii calcium binding egf domain-containing protein 0.0026 0.0518 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0015 0 0.5
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0015 0 0.5
Giardia lamblia GTOR 0.0015 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0 0.5
Echinococcus multilocularis laminin 0.0026 0.0518 0.0518
Loa Loa (eye worm) hypothetical protein 0.0026 0.0518 0.0522
Loa Loa (eye worm) hypothetical protein 0.0217 0.9928 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0518 0.0522

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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