Detailed information for compound 2078205

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 474.515 | Formula: C17H25F3N2O6S2
  • H donors: 1 H acceptors: 4 LogP: -1.08 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(F)(F)F.Cc1ccc(s1)CN1CCOC2(C1)COCCN(C2)S(=O)(=O)C
  • InChi: 1S/C15H24N2O4S2.C2HF3O2/c1-13-3-4-14(22-13)9-16-5-8-21-15(10-16)11-17(23(2,18)19)6-7-20-12-15;3-2(4,5)1(6)7/h3-4H,5-12H2,1-2H3;(H,6,7)
  • InChiKey: VLEGISPOXWXLRB-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 0.0059 0.0892 0.1623
Trypanosoma cruzi polo-like protein kinase, putative 0.0086 0.1822 1
Schistosoma mansoni kinase 0.0044 0.037 0.037
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.1822 1
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.1822 0.1822
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0033 0 0.5
Echinococcus granulosus small conductance calcium activated potassium 0.0192 0.5496 0.5496
Trichomonas vaginalis CAMK family protein kinase 0.0042 0.0332 0.1819
Onchocerca volvulus Serine\/threonine kinase homolog 0.0086 0.1822 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0148 0.3962 0.3962
Entamoeba histolytica serine/threonine protein kinase, putative 0.0086 0.1822 1
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.1822 1
Schistosoma mansoni alpha-glucosidase 0.0127 0.3253 0.3253
Trypanosoma cruzi polo-like protein kinase, putative 0.0086 0.1822 1
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.1822 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0148 0.3962 0.3962
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.1822 1
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.1822 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0148 0.3962 0.3962
Schistosoma mansoni alpha-glucosidase 0.0127 0.3253 0.3253
Schistosoma mansoni hypothetical protein 0.0323 1 1
Giardia lamblia Kinase, PLK 0.0086 0.1822 0.5
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0086 0.1822 0.1822
Trichomonas vaginalis CAMK family protein kinase 0.0042 0.0332 0.1819
Trypanosoma brucei polo-like protein kinase 0.0086 0.1822 1
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.1822 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.1123 0.2044
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.1822 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0086 0.1822 0.4599
Echinococcus multilocularis small conductance calcium activated potassium 0.0192 0.5496 0.5496
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0086 0.1822 0.3316
Echinococcus multilocularis geminin 0.0323 1 1
Schistosoma mansoni hypothetical protein 0.0192 0.5496 0.5496
Schistosoma mansoni calcium-activated potassium channel 0.0124 0.3145 0.3145
Schistosoma mansoni calcium-activated potassium channel 0.0192 0.5496 0.5496
Loa Loa (eye worm) hypothetical protein 0.0062 0.1002 0.1822
Loa Loa (eye worm) hypothetical protein 0.0192 0.5496 1
Schistosoma mansoni hypothetical protein 0.0323 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0086 0.1822 0.1822
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0086 0.1822 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0148 0.3962 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0148 0.3962 0.7209

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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