Detailed information for compound 36776

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 356.482 | Formula: C20H24N2O2S
  • H donors: 2 H acceptors: 2 LogP: 4.2 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(C(COc1ccccc1c1nc2c(s1)cccc2)O)C)C
  • InChi: 1S/C20H24N2O2S/c1-13(2)21-14(3)17(23)12-24-18-10-6-4-8-15(18)20-22-16-9-5-7-11-19(16)25-20/h4-11,13-14,17,21,23H,12H2,1-3H3
  • InChiKey: XLWHOSCPYSMBHS-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
Onchocerca volvulus 0.0041 0 0.5
Plasmodium falciparum apical sushi protein 0.0041 0 0.5
Echinococcus multilocularis irregular chiasm roughest protein immunoglobulin set domain containing protein 0.0054 0.4651 1
Brugia malayi GCC2 and GCC3 family protein 0.0054 0.4787 0.4787
Plasmodium vivax apical sushi protein, putative 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.1629 0.1629
Onchocerca volvulus 0.0041 0 0.5
Onchocerca volvulus 0.0041 0 0.5
Schistosoma mansoni hypothetical protein 0.0054 0.4651 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0069 1 1
Onchocerca volvulus 0.0041 0 0.5
Echinococcus multilocularis conserved hypothetical protein 0.0054 0.4651 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.4787 0.4787
Toxoplasma gondii rhoptry neck protein RON1 0.0041 0 0.5
Onchocerca volvulus 0.0041 0 0.5
Onchocerca volvulus 0.0041 0 0.5
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0069 1 1
Toxoplasma gondii rhoptry neck protein RON9 0.0041 0 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0069 1 1
Onchocerca volvulus 0.0041 0 0.5
Echinococcus multilocularis Immunoglobulin 0.0054 0.4651 1
Brugia malayi hypothetical protein 0.0069 1 1
Echinococcus granulosus irregular chiasm roughest protein 0.0054 0.4651 1
Echinococcus granulosus nephrin 0.0054 0.4651 1
Onchocerca volvulus 0.0041 0 0.5
Onchocerca volvulus 0.0041 0 0.5
Echinococcus granulosus nephrin 0.0054 0.4651 1
Echinococcus granulosus Immunoglobulin 0.0054 0.4651 1
Echinococcus multilocularis nephrin 0.0054 0.4651 1
Schistosoma mansoni hypothetical protein 0.0054 0.4651 1
Onchocerca volvulus 0.0041 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Dose (functional) 0 mg kg-1 Beta adrenoreceptor blocking potency by inhibition of 50% of the tachycardia produced by a submaximal dose of the isoproterenol (0.2microg/kg, intravenously). ChEMBL. 6118435

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

1 literature reference was collected for this gene.

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