Detailed information for compound 992170

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 420.453 | Formula: C22H28O8
  • H donors: 0 H acceptors: 4 LogP: 1.59 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)O[C@H]1C(=O)[C@@H](C)[C@]([C@@H]2[C@]31C(=O)O[C@H](C2)C[C@@]13CO1)(C)CC[C@H]1CCOC1=O
  • InChi: 1S/C22H28O8/c1-11-16(24)17(29-12(2)23)22-15(8-14(30-19(22)26)9-21(22)10-28-21)20(11,3)6-4-13-5-7-27-18(13)25/h11,13-15,17H,4-10H2,1-3H3/t11-,13+,14-,15-,17+,20+,21+,22+/m1/s1
  • InChiKey: JBKJIBSAVHHPSZ-NBVVTEIOSA-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 0.0193 0.4278 0.4242
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0203 0.466 0.4626
Echinococcus granulosus serine:threonine protein kinase N2 0.0136 0.216 0.2197
Echinococcus multilocularis jun protein 0.0085 0.0256 0.0202
Trichomonas vaginalis AGC family protein kinase 0.0079 0.0063 1
Loa Loa (eye worm) hypothetical protein 0.0324 0.914 0.9135
Toxoplasma gondii AGC kinase 0.0079 0.0063 0.5
Loa Loa (eye worm) hypothetical protein 0.0249 0.6354 0.633
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0085 0.0256 0.0202
Trichomonas vaginalis AGC family protein kinase 0.0079 0.0063 1
Brugia malayi protein kinase C II. 0.0278 0.7425 1
Trichomonas vaginalis AGC family protein kinase 0.0079 0.0063 1
Echinococcus multilocularis protein kinase c iota type 0.0135 0.2138 0.2174
Loa Loa (eye worm) hypothetical protein 0.0268 0.7065 0.7046
Loa Loa (eye worm) hypothetical protein 0.0082 0.0171 0.0108
Loa Loa (eye worm) hypothetical protein 0.0268 0.7065 0.7046
Trichomonas vaginalis AGC family protein kinase 0.0079 0.0063 1
Trichomonas vaginalis AGC family protein kinase 0.0079 0.0063 1
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0193 0.4278 0.4417
Trichomonas vaginalis AGC family protein kinase 0.0079 0.0063 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0079 0.0063 0.5
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0337 0.9607 1
Schistosoma mansoni serine/threonine protein kinase 0.0278 0.7425 0.7714
Echinococcus multilocularis serine:threonine protein kinase N2 0.0214 0.5032 0.5206
Trichomonas vaginalis AGC family protein kinase 0.0079 0.0063 1
Schistosoma mansoni serine/threonine protein kinase 0.0337 0.9607 1
Trichomonas vaginalis AGC family protein kinase 0.0079 0.0063 1
Echinococcus granulosus protein kinase c iota type 0.0135 0.2138 0.2174
Schistosoma mansoni atypical protein kinase C 0.0135 0.2138 0.2174
Echinococcus multilocularis protein kinase c epsilon type 0.0278 0.7425 0.7714
Echinococcus granulosus RNA directed DNA polymerase 0.0193 0.4278 0.4417
Echinococcus granulosus protein kinase C gamma type 0.0281 0.7532 0.7826
Entamoeba histolytica PH domain containing protein kinase, putative 0.0136 0.216 1
Trichomonas vaginalis AGC family protein kinase 0.0079 0.0063 1
Echinococcus multilocularis RNA directed DNA polymerase 0.0193 0.4278 0.4417
Echinococcus granulosus jun protein 0.0085 0.0256 0.0202
Echinococcus multilocularis serine threonine protein kinase 0.0281 0.7532 0.7826
Echinococcus granulosus protein kinase c epsilon type 0.0278 0.7425 0.7714
Schistosoma mansoni serine/threonine protein kinase 0.0337 0.9607 1
Trichomonas vaginalis AGC family protein kinase 0.0079 0.0063 1
Loa Loa (eye worm) hypothetical protein 0.0268 0.7065 0.7046
Echinococcus granulosus Protein kinase C brain isozyme 0.0337 0.9607 1
Onchocerca volvulus 0.0268 0.7065 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0085 0.0256 0.0202
Trichomonas vaginalis AGC family protein kinase 0.0079 0.0063 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0278 0.7425 0.7408
Brugia malayi bZIP transcription factor family protein 0.0085 0.0256 0.0262
Brugia malayi Protein kinase c protein 2 0.026 0.6735 0.9063

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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