Detailed information for compound 982222

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 368.498 | Formula: C21H24O4Si
  • H donors: 1 H acceptors: 2 LogP: 5.58 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)c(=O)cc(o2)c1ccc(cc1)O[Si](C(C)(C)C)(C)C
  • InChi: 1S/C21H24O4Si/c1-21(2,3)26(4,5)25-16-9-6-14(7-10-16)20-13-18(23)17-12-15(22)8-11-19(17)24-20/h6-13,22H,1-5H3
  • InChiKey: HEKWJUVEYKOMNP-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) CAMK/PKD protein kinase 0.0191 0.035 0.0306
Loa Loa (eye worm) hypothetical protein 0.0235 0.0883 0.0841
Echinococcus multilocularis Protein kinase C, brain isozyme 0.054 0.4582 0.6801
Loa Loa (eye worm) hypothetical protein 0.036 0.2394 0.2359
Trichomonas vaginalis AGC family protein kinase 0.0166 0.0046 0.6444
Onchocerca volvulus 0.0189 0.033 0.0033
Schistosoma mansoni atypical protein kinase C 0.029 0.1557 0.2265
Echinococcus multilocularis protein kinase c epsilon type 0.0716 0.6715 1
Entamoeba histolytica protein kinase, putative 0.0168 0.0072 0.0084
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0191 0.035 0.0456
Trichomonas vaginalis AGC family protein kinase 0.0166 0.0046 0.6444
Loa Loa (eye worm) hypothetical protein 0.0822 0.7993 0.7984
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0235 0.0883 0.1256
Trichomonas vaginalis AGC family protein kinase 0.0166 0.0046 0.6444
Entamoeba histolytica PH domain containing protein kinase, putative 0.0417 0.3088 1
Trichomonas vaginalis AGC family protein kinase 0.0168 0.0072 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.033 0.0285
Echinococcus multilocularis RNA directed DNA polymerase 0.0235 0.0883 0.1256
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0254 0.1111 0.1069
Schistosoma mansoni serine/threonine protein kinase 0.054 0.4582 0.6801
Trichomonas vaginalis AGC family protein kinase 0.0168 0.0072 1
Schistosoma mansoni serine/threonine protein kinase 0.054 0.4582 0.6801
Echinococcus granulosus protein kinase c iota type 0.029 0.1557 0.2265
Toxoplasma gondii AGC kinase 0.0166 0.0046 0.5
Echinococcus granulosus RNA directed DNA polymerase 0.0235 0.0883 0.1256
Trichomonas vaginalis AGC family protein kinase 0.0168 0.0072 1
Echinococcus multilocularis serine threonine protein kinase 0.0415 0.3071 0.4536
Trichomonas vaginalis AGC family protein kinase 0.0168 0.0072 1
Onchocerca volvulus 0.0822 0.7993 1
Brugia malayi Protein kinase c protein 2 0.0378 0.2621 0.3861
Brugia malayi Protein kinase domain containing protein 0.0168 0.0072 0.0038
Echinococcus granulosus protein kinase C gamma type 0.0415 0.3071 0.4536
Schistosoma mansoni serine/threonine protein kinase 0.0716 0.6715 1
Entamoeba histolytica protein kinase, putative 0.0168 0.0072 0.0084
Trichomonas vaginalis AGC family protein kinase 0.0168 0.0072 1
Trichomonas vaginalis AGC family protein kinase 0.0168 0.0072 1
Trichomonas vaginalis AGC family protein kinase 0.0168 0.0072 1
Brugia malayi protein kinase C II. 0.0716 0.6715 1
Schistosoma mansoni protein kinase C mu 0.0191 0.035 0.0456
Echinococcus granulosus Protein kinase C brain isozyme 0.054 0.4582 0.6801
Loa Loa (eye worm) hypothetical protein 0.0187 0.0304 0.0259
Loa Loa (eye worm) AGC/AKT protein kinase 0.0168 0.0072 0.0026
Echinococcus multilocularis serine:threonine protein kinase N2 0.0577 0.5023 0.7463
Trichomonas vaginalis AGC family protein kinase 0.0168 0.0072 1
Brugia malayi C1-like domain containing protein 0.0191 0.035 0.0456
Loa Loa (eye worm) hypothetical protein 0.0822 0.7993 0.7984
Echinococcus multilocularis protein kinase c iota type 0.029 0.1557 0.2265
Trypanosoma brucei rac serine-threonine kinase, putative 0.0168 0.0072 0.5
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0716 0.6715 0.6699
Loa Loa (eye worm) hypothetical protein 0.0947 0.9504 0.9501
Echinococcus granulosus serine:threonine protein kinase N2 0.0415 0.3062 0.4523
Loa Loa (eye worm) hypothetical protein 0.0822 0.7993 0.7984
Echinococcus granulosus protein kinase c epsilon type 0.0716 0.6715 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4 10'1 ug/ml Inhibition of p56 lck ChEMBL. 1479375

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

1 literature reference was collected for this gene.

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