Detailed information for compound 34841

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 418.479 | Formula: C20H34O9
  • H donors: 1 H acceptors: 4 LogP: 5.84 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCOC(=O)O[C@H]1OC(=O)[C@@H]([C@@H]1OC(=O)OCCCCCCC)O
  • InChi: 1S/C20H34O9/c1-3-5-7-9-11-13-25-19(23)27-16-15(21)17(22)28-18(16)29-20(24)26-14-12-10-8-6-4-2/h15-16,18,21H,3-14H2,1-2H3/t15-,16+,18-/m1/s1
  • InChiKey: HJPGGYMYXCTDTB-SOLBZPMBSA-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
Schistosoma mansoni serine/threonine protein kinase 0.1088 1 1
Brugia malayi Protein kinase domain containing protein 0.0154 0.0049 0.0062
Schistosoma mansoni serine/threonine kinase 0.0212 0.066 0.066
Echinococcus multilocularis protein kinase c epsilon type 0.0523 0.3978 0.3978
Brugia malayi Protein kinase domain containing protein 0.0212 0.066 0.0847
Trichomonas vaginalis AGC family protein kinase 0.0212 0.066 1
Trichomonas vaginalis AGC family protein kinase 0.0212 0.066 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.0212 0.066 0.0882
Loa Loa (eye worm) hypothetical protein 0.0174 0.0265 0.0354
Trichomonas vaginalis AGC family protein kinase 0.0212 0.066 1
Entamoeba histolytica protein kinase, putative 0.0212 0.066 1
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0154 0.0049 0.0062
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0212 0.066 0.0882
Trichomonas vaginalis AGC family protein kinase 0.0212 0.066 1
Schistosoma mansoni serine/threonine protein kinase 0.0523 0.3978 0.3978
Schistosoma mansoni unc-13 (munc13) 0.0174 0.0265 0.0265
Entamoeba histolytica protein kinase, putative 0.0212 0.066 1
Onchocerca volvulus 0.0174 0.0265 0.0627
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0212 0.066 0.066
Loa Loa (eye worm) hypothetical protein 0.0758 0.6478 0.8659
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0154 0.0049 0.0065
Echinococcus multilocularis serine:threonine protein kinase N2 0.0212 0.066 0.066
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0212 0.066 0.066
Echinococcus granulosus protein kinase C gamma type 0.0939 0.8407 0.8407
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0212 0.066 0.0882
Echinococcus multilocularis RNA directed DNA polymerase 0.0702 0.5889 0.5889
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0154 0.0049 0.0065
Trichomonas vaginalis AGC family protein kinase 0.0212 0.066 1
Schistosoma mansoni unc-13 (munc13) 0.0174 0.0265 0.0265
Brugia malayi C1-like domain containing protein 0.0154 0.0049 0.0062
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0154 0.0049 0.0049
Loa Loa (eye worm) AGC/NDR protein kinase 0.0212 0.066 0.0882
Trypanosoma brucei rac serine-threonine kinase, putative 0.0212 0.066 0.5
Entamoeba histolytica protein kinase, putative 0.0212 0.066 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0349 0.212 0.212
Echinococcus granulosus NDR protein kinase 0.0212 0.066 0.066
Loa Loa (eye worm) AGC/PKN protein kinase 0.0212 0.066 0.0882
Brugia malayi Protein kinase domain containing protein 0.0212 0.066 0.0847
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0212 0.066 0.066
Toxoplasma gondii AGC kinase 0.0212 0.066 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0212 0.066 0.066
Brugia malayi protein kinase C3,putative 0.0154 0.0049 0.0062
Trichomonas vaginalis AGC family protein kinase 0.0212 0.066 1
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0732 0.6202 0.8289
Echinococcus multilocularis Protein kinase C, brain isozyme 0.1088 1 1
Trichomonas vaginalis AGC family protein kinase 0.0212 0.066 1
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0174 0.0265 0.0265
Schistosoma mansoni serine/threonine protein kinase 0.0165 0.0163 0.0163
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0523 0.3978 0.5317
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0212 0.066 0.0882
Echinococcus granulosus RNA directed DNA polymerase 0.0702 0.5889 0.5889
Onchocerca volvulus 0.0546 0.4225 1
Schistosoma mansoni serine/threonine protein kinase 0.0212 0.066 0.066
Brugia malayi Hr1 repeat family protein 0.0212 0.066 0.0847
Echinococcus multilocularis raf serine:threonine protein kinase 0.0165 0.0163 0.0163
Echinococcus granulosus raf serine:threonine protein kinase 0.0165 0.0163 0.0163
Entamoeba histolytica protein kinase, putative 0.0212 0.066 1
Trichomonas vaginalis AGC family protein kinase 0.0212 0.066 1
Echinococcus multilocularis serine:threonine protein kinase 38 0.0212 0.066 0.066
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0702 0.5889 0.5889
Trichomonas vaginalis AGC family protein kinase 0.0212 0.066 1
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0212 0.066 0.066
Loa Loa (eye worm) hypothetical protein 0.0546 0.4225 0.5647
Echinococcus multilocularis serine threonine protein kinase 0.0939 0.8407 0.8407
Trichomonas vaginalis AGC family protein kinase 0.0212 0.066 1
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0174 0.0265 0.0265
Echinococcus multilocularis protein kinase c iota type 0.0361 0.2253 0.2253
Echinococcus granulosus protein kinase c iota type 0.0361 0.2253 0.2253
Loa Loa (eye worm) hypothetical protein 0.0546 0.4225 0.5647
Schistosoma mansoni protein kinase C mu 0.0154 0.0049 0.0049
Schistosoma mansoni protein kinase C 0.0174 0.0265 0.0265
Trichomonas vaginalis AGC family protein kinase 0.0212 0.066 1
Schistosoma mansoni serine/threonine protein kinase 0.0154 0.0049 0.0049
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0212 0.066 0.066
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0212 0.066 0.066
Loa Loa (eye worm) hypothetical protein 0.0546 0.4225 0.5647
Brugia malayi p70 ribosomal S6 kinase beta 0.0212 0.066 0.0847
Schistosoma mansoni serine/threonine protein kinase 0.1088 1 1
Loa Loa (eye worm) hypothetical protein 0.0696 0.5818 0.7776
Brugia malayi Protein kinase c protein 2 0.0881 0.7795 1
Schistosoma mansoni serine/threonine protein kinase 0.0154 0.0049 0.0049
Brugia malayi Protein kinase domain containing protein 0.0212 0.066 0.0847
Echinococcus granulosus unc 13 munc13 0.0174 0.0265 0.0265
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0154 0.0049 0.0049
Schistosoma mansoni serine/threonine protein kinase 0.0212 0.066 0.066
Schistosoma mansoni serine/threonine protein kinase 0.0212 0.066 0.066
Brugia malayi protein kinase C II. 0.0523 0.3978 0.5103
Schistosoma mansoni serine/threonine protein kinase 0.0212 0.066 0.066
Schistosoma mansoni atypical protein kinase C 0.0361 0.2253 0.2253
Echinococcus multilocularis unc 13 (munc13) 0.0174 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0852 0.7482 1
Echinococcus granulosus protein kinase c epsilon type 0.0523 0.3978 0.3978
Loa Loa (eye worm) hypothetical protein 0.0702 0.5889 0.7871
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0212 0.066 0.0882

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Antagonist activity against protein Kinase C ChEMBL. No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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