Detailed information for compound 820046

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 358.412 | Formula: C18H18N2O4S
  • H donors: 2 H acceptors: 3 LogP: 4.23 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2=NO
  • InChi: 1S/C18H18N2O4S/c1-2-24-18(22)14-12-9-6-10-13(20-23)15(12)25-17(14)19-16(21)11-7-4-3-5-8-11/h3-5,7-8,23H,2,6,9-10H2,1H3,(H,19,21)/b20-13-
  • InChiKey: GZRIWWRGSMQCLV-MOSHPQCFSA-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
Trypanosoma brucei aurora B kinase 0.0115 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0115 0 0.5
Treponema pallidum licC protein (licC) 0.0429 0.1411 0.5
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0115 0 0.5
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.234 1 1
Entamoeba histolytica protein kinase, putative 0.0115 0 0.5
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0115 0 0.5
Giardia lamblia Aurora kinase 0.0115 0 0.5
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0115 0 0.5
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0115 0 0.5
Brugia malayi serine/threonine-protein kinase 6 0.0115 0 0.5
Loa Loa (eye worm) AUR protein kinase 0.0115 0 0.5
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0115 0 0.5
Plasmodium falciparum serine/threonine protein kinase, putative 0.0115 0 0.5
Leishmania major protein kinase, putative 0.0115 0 0.5
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.0429 0.1411 1
Trichomonas vaginalis AGC family protein kinase 0.0115 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0115 0 0.5
Entamoeba histolytica protein kinase , putative 0.0115 0 0.5
Echinococcus granulosus aurora kinase A 0.0115 0 0.5
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0115 0 0.5
Loa Loa (eye worm) AUR protein kinase 0.0115 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0115 0 0.5
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.234 1 0.5
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.234 1 1
Entamoeba histolytica protein kinase, putative 0.0115 0 0.5
Schistosoma mansoni protein kinase 0.0115 0 0.5
Brugia malayi serine/threonine kinase 12 0.0115 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0115 0 0.5
Trypanosoma cruzi aurora B kinase, putative 0.0115 0 0.5
Echinococcus multilocularis aurora kinase A 0.0115 0 0.5
Brugia malayi serine/threonine protein kinase 6 0.0115 0 0.5
Loa Loa (eye worm) AUR protein kinase 0.0115 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0115 0 0.5

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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