Detailed information for compound 106319

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 236.29 | Formula: C11H12N2O2S
  • H donors: 1 H acceptors: 1 LogP: 1.56 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c(=O)n(c(=S)[nH]2)CC
  • InChi: 1S/C11H12N2O2S/c1-3-13-10(14)8-6-7(15-2)4-5-9(8)12-11(13)16/h4-6H,3H2,1-2H3,(H,12,16)
  • InChiKey: CLDNJWCAACNLPZ-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
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.2783 1
Brugia malayi Probable ClpP-like protease 0.0077 0.2783 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.2783 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.2783 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.2783 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.2783 0.1695
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.131 0.5
Schistosoma mansoni hypothetical protein 0.018 0.8507 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.2783 0.1695
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.2783 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.2783 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.2783 0.5
Entamoeba histolytica kinesin, putative 0.0027 0 0.5
Giardia lamblia Kinesin-5 0.0027 0 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.2783 1
Echinococcus multilocularis kinesin family 1 0.0207 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.2783 0.3271
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.2783 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.131 0.5
Loa Loa (eye worm) hypothetical protein 0.0077 0.2783 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.2783 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.2783 0.5

Activities

Activity type Activity value Assay description Source Reference
Mortality inhibition (functional) = 12 % In vitro leishmanicidal activity of the compound against promastigotes of L. donovani at 100 microg/ml concentration ChEMBL. No reference
Mortality inhibition (functional) = 12 % In vitro leishmanicidal activity of the compound against promastigotes of L. donovani at 100 microg/ml concentration ChEMBL. No reference

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

No literature references available for this target.

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