Detailed information for compound 133300

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 290.381 | Formula: C15H18N2O2S
  • H donors: 2 H acceptors: 2 LogP: 2.79 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccc2c(c1)C1(CCS2)NC(=O)NC1=O)(C)C
  • InChi: 1S/C15H18N2O2S/c1-14(2,3)9-4-5-11-10(8-9)15(6-7-20-11)12(18)16-13(19)17-15/h4-5,8H,6-7H2,1-3H3,(H2,16,17,18,19)
  • InChiKey: HCJFUNWVAHHLFT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Treponema pallidum ribonuclease H (rnhA) 0.0094 0.3006 0.5
Trichomonas vaginalis ribonuclease H1, putative 0.0094 0.3006 0.5
Brugia malayi RNase H family protein 0.0065 0.1629 0.2614
Trypanosoma cruzi ribonuclease H1, putative 0.0122 0.434 0.5
Schistosoma mansoni lipoxygenase 0.0051 0.0983 0.0983
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0094 0.3006 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.0845 1
Brugia malayi hypothetical protein 0.0048 0.0845 0.0477
Trypanosoma brucei ribonuclease H1 0.0122 0.434 0.3023
Echinococcus granulosus tumor protein p63 0.01 0.3263 1
Echinococcus multilocularis ribonuclease H1 0.0093 0.2964 0.8686
Giardia lamblia Ribonuclease H 0.0094 0.3006 0.5
Trypanosoma cruzi ribonuclease H1, putative 0.0122 0.434 0.5
Echinococcus granulosus ribonuclease H1 0.0093 0.2964 0.8686
Schistosoma mansoni phosphoglucomutase 0.0093 0.2964 0.2964
Echinococcus multilocularis tumor protein p63 0.01 0.3263 1
Schistosoma mansoni phosphoglucomutase 0.0093 0.2964 0.2964
Schistosoma mansoni phosphoglucomutase 0.0065 0.1629 0.1629
Brugia malayi RNase H family protein 0.0122 0.434 1
Onchocerca volvulus Ribonuclease H1 homolog 0.0065 0.1629 0.5
Leishmania major ribonuclease H1, putative 0.0094 0.3006 0.5
Trypanosoma brucei RNA helicase, putative 0.0243 1 1
Brugia malayi RNase H family protein 0.0065 0.1629 0.2614
Toxoplasma gondii ribonuclease HI protein 0.0094 0.3006 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0001 M Inhibition of partially purified calf lens aldose reductase; value ranges from 10E-4 to 10e-5 M ChEMBL. 3121857
IC50 (binding) = 0.0001 M Inhibition of partially purified calf lens aldose reductase; value ranges from 10E-4 to 10e-5 M ChEMBL. 3121857

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.