Detailed information for compound 808337

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 386.465 | Formula: C20H22N2O4S
  • H donors: 0 H acceptors: 3 LogP: 2.35 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cccc(c1)CN1CCN(CCC1=O)C(=O)c1ccc(s1)C
  • InChi: 1S/C20H22N2O4S/c1-14-6-7-17(27-14)19(24)21-9-8-18(23)22(11-10-21)13-15-4-3-5-16(12-15)20(25)26-2/h3-7,12H,8-11,13H2,1-2H3
  • InChiKey: VMMQMTKDTKNRMI-UHFFFAOYSA-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
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0022 0.0123 0.0123
Echinococcus granulosus Glutaredoxin protein 5 0.0022 0.0123 0.0123
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0342 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.0038 0.0342 0.0342
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0342 1
Echinococcus granulosus nervana 2 0.0022 0.0123 0.0123
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0342 1
Brugia malayi Protein kinase domain containing protein 0.0038 0.0342 0.0342
Entamoeba histolytica protein kinase, putative 0.0038 0.0342 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0024 0.0152 0.0152
Trichomonas vaginalis AGC family protein kinase 0.0016 0.0031 0.091
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.073 1 1
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.073 1 1
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0342 1
Echinococcus multilocularis Glutaredoxin protein 5 0.0022 0.0123 0.0123
Echinococcus granulosus serine threonine protein kinase nrc 0.0024 0.0152 0.0152
Schistosoma mansoni serine/threonine protein kinase 0.073 1 1
Entamoeba histolytica protein kinase, putative 0.0036 0.0311 0.909
Entamoeba histolytica PH domain containing protein kinase, putative 0.0027 0.0184 0.5363
Giardia lamblia Kinase, AGC PKA 0.0024 0.0152 0.5
Entamoeba histolytica PH domain containing protein kinase, putative 0.0027 0.0184 0.5363
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0024 0.0152 0.5
Echinococcus multilocularis nervana 2 0.0022 0.0123 0.0123
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0342 1
Echinococcus granulosus MAP kinase activated protein kinase 2 0.073 1 1
Schistosoma mansoni serine/threonine-protein kinase 0.0027 0.0184 0.0184
Echinococcus granulosus serine/threonine protein kinase 0.0027 0.0184 0.0184
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0024 0.0152 0.0152
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0024 0.0152 0.5
Echinococcus granulosus nervana 2 0.0022 0.0123 0.0123
Toxoplasma gondii AGC kinase 0.0036 0.0311 0.5
Schistosoma mansoni serine/threonine-protein kinase 0.0027 0.0184 0.0184
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0036 0.0311 0.0311
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0342 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0022 0.0123 0.0123
Echinococcus multilocularis nervana 2 0.0022 0.0123 0.0123
Entamoeba histolytica protein kinase, putative 0.0038 0.0342 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0027 0.0184 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0038 0.0342 0.5
Echinococcus multilocularis rac serine:threonine kinase 0.0027 0.0184 0.0184
Entamoeba histolytica protein kinase 2, putative 0.0024 0.0152 0.4453
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0342 1
Trypanosoma cruzi Protein kinase B 0.0027 0.0184 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0036 0.0311 0.0311

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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