Detailed information for compound 814224

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 425.448 | Formula: C20H26F3N5O2
  • H donors: 1 H acceptors: 3 LogP: 1.18 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCC(=O)NC(c1nnc2n1CCN(CC2)Cc1cccc(c1)C(F)(F)F)C
  • InChi: 1S/C20H26F3N5O2/c1-14(24-18(29)7-11-30-2)19-26-25-17-6-8-27(9-10-28(17)19)13-15-4-3-5-16(12-15)20(21,22)23/h3-5,12,14H,6-11,13H2,1-2H3,(H,24,29)
  • InChiKey: BQRQKMYVTNXGHL-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
Trypanosoma brucei heat shock protein, putative 0.0033 1 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0033 1 1
Trichomonas vaginalis heat shock protein, putative 0.002 0.345 0.345
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0031 0.8786 0.8786
Echinococcus granulosus endoplasmin 0.0026 0.655 0.655
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0026 0.655 0.655
Plasmodium falciparum heat shock protein 90 0.0033 1 1
Trichomonas vaginalis heat shock protein, putative 0.0026 0.655 0.655
Trypanosoma brucei heat shock protein, putative 0.0033 1 1
Trichomonas vaginalis heat shock protein, putative 0.0033 1 1
Schistosoma mansoni heat shock protein 0.0033 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0031 0.8786 0.8786
Trypanosoma brucei heat shock protein, putative 0.0033 1 1
Brugia malayi heat shock protein 90 0.0033 1 1
Entamoeba histolytica heat shock protein 90, putative 0.0033 1 1
Echinococcus granulosus heat shock protein 0.0033 1 1
Trypanosoma cruzi trans-sialidase, putative 0.0031 0.8784 0.8784
Trypanosoma cruzi heat shock protein 90, putative 0.0033 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0031 0.8786 0.8786
Schistosoma mansoni heat shock protein 0.0033 1 1
Echinococcus granulosus heat shock protein 90 0.0026 0.655 0.655
Trypanosoma cruzi heat shock protein 85, putative 0.0026 0.655 0.655
Leishmania major heat shock protein 83-1 0.0033 1 1
Trypanosoma brucei trans-sialidase, putative 0.0031 0.8786 0.8786
Trypanosoma cruzi heat shock protein 85, putative 0.0033 1 1
Trypanosoma brucei trans-sialidase, putative 0.0031 0.8786 0.8786
Trypanosoma brucei heat shock protein 90, putative 0.0033 1 1
Plasmodium vivax heat shock protein 86, putative 0.0033 1 1
Trypanosoma brucei heat shock protein, putative 0.0033 1 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0033 1 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0026 0.655 0.5
Leishmania major heat shock protein 83-1 0.0033 1 1
Trypanosoma cruzi trans-sialidase, putative 0.0031 0.8786 0.8786
Trypanosoma cruzi trans-sialidase, putative 0.0031 0.8784 0.8784
Trypanosoma cruzi trans-sialidase, putative 0.0031 0.8786 0.8786
Toxoplasma gondii heat shock protein 90, putative 0.0033 1 1
Trypanosoma brucei heat shock protein, putative 0.0033 1 1
Leishmania major heat shock protein 83-1 0.0033 1 1
Trypanosoma brucei trans-sialidase, putative 0.0031 0.8786 0.8786
Trichomonas vaginalis endoplasmin, putative 0.002 0.345 0.345
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0031 0.8786 0.8786
Trypanosoma brucei trans-sialidase, putative 0.0031 0.8786 0.8786
Echinococcus granulosus heat shock protein 90 0.0033 1 1
Trichomonas vaginalis heat shock protein, putative 0.0026 0.655 0.655
Entamoeba histolytica heat shock protein 90, putative 0.0033 1 1
Leishmania major heat shock protein 83-1 0.0033 1 1
Schistosoma mansoni endoplasmin 0.0033 1 1
Echinococcus multilocularis heat shock protein 90 0.0033 1 1
Leishmania major heat shock protein 83-1 0.0033 1 1
Leishmania major heat shock protein 83-1 0.0033 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0033 1 1
Trypanosoma brucei heat shock protein, putative 0.0033 1 1
Leishmania major heat shock protein 83-1 0.0033 1 1
Trypanosoma brucei Heat shock protein 83, putative 0.0033 1 1
Trypanosoma brucei trans-sialidase 0.0031 0.8786 0.8786
Trichomonas vaginalis heat shock protein, putative 0.0026 0.655 0.655
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0031 0.8786 0.8786
Echinococcus multilocularis endoplasmin 0.0026 0.655 0.655
Leishmania major heat shock protein 83-1 0.0033 1 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0026 0.655 0.5
Plasmodium vivax endoplasmin, putative 0.0033 1 1
Trypanosoma brucei heat shock protein, putative 0.0033 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0031 0.8786 0.8786
Trypanosoma cruzi trans-sialidase, putative 0.0031 0.8786 0.8786
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0031 0.8786 0.8786
Trypanosoma cruzi heat shock protein 90, putative 0.002 0.3058 0.3058
Leishmania major heat shock protein 83-1 0.0033 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0031 0.8786 0.8786
Trypanosoma brucei heat shock protein, putative 0.0033 1 1
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0014 0 0.5
Mycobacterium ulcerans heat shock protein 90 0.0026 0.655 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0031 0.8786 0.8786
Leishmania major heat shock protein 83-1 0.0033 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0031 0.8786 0.8786
Trypanosoma cruzi trans-sialidase, putative 0.0031 0.8784 0.8784
Trypanosoma cruzi heat shock protein 90, putative 0.0026 0.655 0.655
Toxoplasma gondii heat shock protein HSP90 0.0033 1 1
Leishmania major heat shock protein 83-1 0.0033 1 1
Schistosoma mansoni endoplasmin 0.0033 1 1
Leishmania major heat shock protein 83-1 0.0033 1 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0026 0.655 0.655
Plasmodium falciparum endoplasmin, putative 0.002 0.345 0.345
Leishmania major heat shock protein 83-1 0.0033 1 1
Trypanosoma brucei heat shock protein 90, putative 0.0033 1 1
Leishmania major heat shock protein 83-1 0.0033 1 1
Echinococcus multilocularis heat shock protein 90 0.0026 0.655 0.655
Leishmania major heat shock protein 83-1 0.0033 1 1
Loa Loa (eye worm) endoplasmin 0.0033 1 1
Leishmania major heat shock protein 83-1 0.0033 1 1
Trypanosoma brucei trans-sialidase, putative 0.0031 0.8786 0.8786
Echinococcus multilocularis heat shock protein 0.0033 1 1
Treponema pallidum heat shock protein 90 0.0026 0.655 0.5
Trypanosoma cruzi trans-sialidase, putative 0.0031 0.8784 0.8784
Loa Loa (eye worm) heat shock protein 90 0.0033 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0033 1 1
Leishmania major heat shock protein 83-1 0.0033 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0031 0.8786 0.8786
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0026 0.655 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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