Detailed information for compound 879511

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.458 | Formula: C19H22F3N3OS
  • H donors: 0 H acceptors: 2 LogP: 4.43 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CN1CCN(CC1)C(=O)c1csc(n1)c1cccc(c1)C(F)(F)F)C
  • InChi: 1S/C19H22F3N3OS/c1-13(2)11-24-6-8-25(9-7-24)18(26)16-12-27-17(23-16)14-4-3-5-15(10-14)19(20,21)22/h3-5,10,12-13H,6-9,11H2,1-2H3
  • InChiKey: YAFDVGFHCCPSBN-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
Entamoeba histolytica heat shock protein 90, putative 0.0105 0.1015 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0633 0.9682 1
Trypanosoma cruzi heat shock protein 85, putative 0.0105 0.1015 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0083 0.0665 0.2397
Entamoeba histolytica heat shock protein 90, putative 0.0105 0.1015 1
Trypanosoma brucei heat shock protein, putative 0.0105 0.1015 1
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PTPB (protein-tyrosine-phosphatase) (PTPase) 0.0212 0.2774 1
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Entamoeba histolytica hypothetical protein, conserved 0.0061 0.0296 0.2916
Loa Loa (eye worm) heat shock protein 90 0.0105 0.1015 0.1048
Trypanosoma brucei heat shock protein, putative 0.0105 0.1015 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0105 0.1015 1
Trypanosoma cruzi heat shock protein 90, putative 0.0105 0.1015 1
Plasmodium vivax endoplasmin, putative 0.0105 0.1015 1
Trypanosoma cruzi heat shock protein 90, putative 0.0062 0.031 0.3058
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Plasmodium falciparum endoplasmin, putative 0.0064 0.035 0.345
Trypanosoma brucei heat shock protein 90, putative 0.0105 0.1015 1
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Schistosoma mansoni heat shock protein 0.0105 0.1015 0.6951
Trypanosoma brucei heat shock protein, putative 0.0105 0.1015 1
Loa Loa (eye worm) endoplasmin 0.0105 0.1015 0.1048
Giardia lamblia Heat shock protein HSP 90-alpha 0.0105 0.1015 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0132 0.146 1
Schistosoma mansoni endoplasmin 0.0105 0.1015 0.6951
Plasmodium falciparum heat shock protein 90 0.0105 0.1015 1
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Trypanosoma brucei heat shock protein, putative 0.0105 0.1015 1
Entamoeba histolytica phosphatidylinositol-3,4,5-trisphosphate 3-phosphatase, putative 0.0061 0.0296 0.2916
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Toxoplasma gondii heat shock protein 90, putative 0.0105 0.1015 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpB 0.0212 0.2774 1
Brugia malayi nuclear hormone receptor 0.0633 0.9682 1
Loa Loa (eye worm) hypothetical protein 0.0615 0.9399 0.9707
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Trypanosoma brucei heat shock protein, putative 0.0105 0.1015 1
Brugia malayi Endoplasmin precursor 0.0105 0.1015 0.1048
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0083 0.0665 0.5
Echinococcus granulosus heat shock protein 0.0105 0.1015 0.6951
Schistosoma mansoni endoplasmin 0.0105 0.1015 0.6951
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Trypanosoma cruzi tyrosine phosphatase, putative 0.0061 0.0296 0.2916
Trypanosoma brucei Heat shock protein 83, putative 0.0105 0.1015 1
Trichomonas vaginalis conserved hypothetical protein 0.0212 0.2774 1
Trichomonas vaginalis heat shock protein, putative 0.0105 0.1015 0.3659
Trypanosoma cruzi heat shock protein 90, putative 0.0083 0.0665 0.655
Trichomonas vaginalis endoplasmin, putative 0.0064 0.035 0.1263
Echinococcus multilocularis heat shock protein 90 0.0105 0.1015 0.8882
Trypanosoma brucei heat shock protein, putative 0.0105 0.1015 1
Leishmania major hypothetical protein, unknown function 0.0061 0.0296 0.1067
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Trypanosoma brucei heat shock protein 90, putative 0.0105 0.1015 1
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Trypanosoma brucei heat shock protein, putative 0.0105 0.1015 1
Echinococcus multilocularis heat shock protein 0.0105 0.1015 0.8882
Toxoplasma gondii heat shock protein HSP90 0.0105 0.1015 1
Trichomonas vaginalis heat shock protein, putative 0.0083 0.0665 0.2397
Trichomonas vaginalis heat shock protein, putative 0.0083 0.0665 0.2397
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0083 0.0665 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.0105 0.1015 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0113 0.1143 1
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Echinococcus multilocularis endoplasmin 0.0083 0.0665 0.5818
Trichomonas vaginalis heat shock protein, putative 0.0083 0.0665 0.2397
Leishmania major heat shock protein 83-1 0.0105 0.1015 0.3659
Schistosoma mansoni heat shock protein 0.0105 0.1015 0.6951
Trypanosoma cruzi heat shock protein 85, putative 0.0105 0.1015 1
Treponema pallidum heat shock protein 90 0.0083 0.0665 0.5
Leishmania major phosphoinositide phosphatase 0.0212 0.2774 1
Plasmodium vivax heat shock protein 86, putative 0.0105 0.1015 1
Trypanosoma cruzi heat shock protein 85, putative 0.0083 0.0665 0.655
Echinococcus granulosus endoplasmin 0.0083 0.0665 0.4552
Schistosoma mansoni retinoic acid receptor RXR 0.0132 0.146 1
Echinococcus multilocularis heat shock protein 90 0.0083 0.0665 0.5818
Brugia malayi heat shock protein 90 0.0105 0.1015 0.1048
Echinococcus granulosus heat shock protein 90 0.0083 0.0665 0.4552
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0083 0.0665 0.4552
Echinococcus granulosus heat shock protein 90 0.0105 0.1015 0.6951
Trypanosoma brucei heat shock protein, putative 0.0105 0.1015 1
Trichomonas vaginalis heat shock protein, putative 0.0064 0.035 0.1263

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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