Detailed information for compound 807010

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 425.905 | Formula: C24H24ClNO4
  • H donors: 0 H acceptors: 1 LogP: 4.82 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)c1cc(OCc2ccco2)c2c(c1)CN(CCO2)C(=O)C(C)C
  • InChi: 1S/C24H24ClNO4/c1-16(2)24(27)26-8-10-29-23-19(14-26)11-18(17-5-3-6-20(25)12-17)13-22(23)30-15-21-7-4-9-28-21/h3-7,9,11-13,16H,8,10,14-15H2,1-2H3
  • InChiKey: WVWUDEDNWKUPQL-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
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0114 0.0161 0.0161
Brugia malayi Protein kinase domain containing protein 0.0114 0.0161 0.0138
Echinococcus granulosus serine:threonine protein kinase N2 0.0114 0.0161 0.0161
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0114 0.0161 0.0161
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0114 0.0161 0.0161
Schistosoma mansoni serine/threonine protein kinase 0.0212 0.1102 0.1102
Loa Loa (eye worm) AGC/PKN protein kinase 0.0114 0.0161 0.0161
Brugia malayi Protein kinase domain containing protein 0.0114 0.0161 0.0138
Echinococcus granulosus serine:threonine protein kinase N2 0.0925 0.798 0.798
Trichomonas vaginalis AGC family protein kinase 0.0114 0.0161 1
Schistosoma mansoni serine/threonine protein kinase 0.1135 1 1
Onchocerca volvulus 0.0098 0 0.5
Echinococcus multilocularis protein kinase c iota type 0.0195 0.094 0.094
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0114 0.0161 0.0161
Trichomonas vaginalis AGC family protein kinase 0.0114 0.0161 1
Trichomonas vaginalis AGC family protein kinase 0.0114 0.0161 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.1135 1 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0114 0.0161 0.5
Trichomonas vaginalis AGC family protein kinase 0.0114 0.0161 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0212 0.1102 0.1102
Entamoeba histolytica PH domain containing protein kinase, putative 0.0925 0.798 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.0161 0.0161
Schistosoma mansoni serine/threonine protein kinase 0.0212 0.1102 0.1102
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0161 0.0161
Trichomonas vaginalis AGC family protein kinase 0.0114 0.0161 1
Echinococcus multilocularis serine threonine protein kinase 0.0131 0.0323 0.0323
Trichomonas vaginalis AGC family protein kinase 0.0114 0.0161 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0114 0.0161 0.0161
Toxoplasma gondii AGC kinase 0.0114 0.0161 0.5
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0114 0.0161 0.0161
Brugia malayi Hr1 repeat family protein 0.0114 0.0161 0.0138
Trichomonas vaginalis AGC family protein kinase 0.0114 0.0161 1
Schistosoma mansoni atypical protein kinase C 0.0195 0.094 0.094
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0161 0.0161
Echinococcus multilocularis serine:threonine protein kinase N2 0.1037 0.9059 0.9059
Loa Loa (eye worm) AGC/AKT protein kinase 0.0114 0.0161 0.0161
Loa Loa (eye worm) AGC/NDR protein kinase 0.0114 0.0161 0.0161
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0114 0.0161 0.0161
Echinococcus multilocularis serine:threonine protein kinase 38 0.0114 0.0161 0.0161
Trichomonas vaginalis AGC family protein kinase 0.0114 0.0161 1
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0161 0.0161
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0114 0.0161 0.0161
Brugia malayi p70 ribosomal S6 kinase beta 0.0114 0.0161 0.0138
Trichomonas vaginalis AGC family protein kinase 0.0114 0.0161 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0114 0.0161 0.0161
Brugia malayi Protein kinase domain containing protein 0.0114 0.0161 0.0138
Trichomonas vaginalis AGC family protein kinase 0.0114 0.0161 1
Echinococcus granulosus protein kinase C gamma type 0.0131 0.0323 0.0323
Echinococcus granulosus protein kinase c iota type 0.0195 0.094 0.094
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0114 0.0161 0.0161
Echinococcus granulosus protein kinase c epsilon type 0.1135 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0161 0.0161
Echinococcus multilocularis protein kinase c epsilon type 0.1135 1 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0212 0.1102 0.1102
Schistosoma mansoni serine/threonine kinase 0.0114 0.0161 0.0161
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0114 0.0161 0.0161
Trichomonas vaginalis AGC family protein kinase 0.0114 0.0161 1
Echinococcus granulosus NDR protein kinase 0.0114 0.0161 0.0161

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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