Detailed information for compound 290761

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 252.286 | Formula: C12H12O4S
  • H donors: 0 H acceptors: 3 LogP: 0.84 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCC1=CS(=O)(=O)c2c(C1=O)cccc2
  • InChi: 1S/C12H12O4S/c1-2-16-7-9-8-17(14,15)11-6-4-3-5-10(11)12(9)13/h3-6,8H,2,7H2,1H3
  • InChiKey: FKYGIQFUEZIORU-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 multilocularis matrix metallopeptidase 7 (M10 family) 0.013 0.0335 0.5
Brugia malayi Matrixin family protein 0.0087 0.0047 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0609 0.3492 0.5
Trypanosoma brucei Polypeptide deformylase 1 0.0609 0.3492 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0609 0.3492 0.5
Trypanosoma brucei Peptide deformylase 2 0.0609 0.3492 0.5
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.1596 1 0.5
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0085 0.0037 0.5
Mycobacterium ulcerans peptide deformylase 0.1596 1 0.5
Plasmodium vivax peptide deformylase, putative 0.1596 1 0.5
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.1596 1 0.5
Treponema pallidum polypeptide deformylase (def) 0.1596 1 0.5
Onchocerca volvulus Matrilysin homolog 0.008 0 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.008 0 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0609 0.3492 0.5
Plasmodium falciparum peptide deformylase 0.1596 1 0.5
Leishmania major polypeptide deformylase-like protein, putative 0.0609 0.3492 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0609 0.3492 0.5
Loa Loa (eye worm) matrixin family protein 0.0087 0.0047 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.013 0.0335 0.5
Toxoplasma gondii hypothetical protein 0.1596 1 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.1596 1 0.5

Activities

Activity type Activity value Assay description Source Reference
% (functional) = 17.8 Percent packed cell volume at 10 mg/kg per day ChEMBL. 7277393
Days (functional) = 9.6 Effect of compound on P-388 lymphocytic leukemia growth at a given dose 15 mg/kg per day ip expressed as average survival days of treated mice ChEMBL. 7277393
Days (functional) = 10.4 Effect of compound on P-388 lymphocytic leukemia growth at a given dose 5 mg/kg per day ip expressed as average survival days of treated mice ChEMBL. 7277393
Days (functional) = 12.2 Effect on P-388 lymphocytic leukemia growth at a given dose 10 mg/kg per day ip expressed as average survival days of treated mice ChEMBL. 7277393
Inhibition (functional) = 92.4 % Percent inhibition of ehrlich ascites carcinoma growth at 10 mg/kg per day ChEMBL. 7277393
Inhibition (functional) = 92.4 % Percent inhibition of ehrlich ascites carcinoma growth at 10 mg/kg per day ChEMBL. 7277393
Survivors at day 9 (functional) = 8 Effect on ehrlich ascites carcinoma growth in CF1 mice at 10 mg/kg per day ip survival at day 9; 8/8 ChEMBL. 7277393
T/C (functional) = 101 Effect of compound on P-388 lymphocytic leukemia growth at a given dose 15 mg/kg per day ip expressed as ratio of treated / control (T/C>125 is required for significant activity) ChEMBL. 7277393
T/C (functional) = 109 Effect of compound on P-388 lymphocytic leukemia growth at a given dose 5 mg/kg per day ip expressed as ratio of treated / control (T/C>125 is required for significant activity) ChEMBL. 7277393
T/C (functional) = 128 Effect of compound on P-388 lymphocytic leukemia growth at a given dose 10 mg/kg per day ip expressed as ratio of treated / control (T/C>125 is required for significant activity) ChEMBL. 7277393
Volume (functional) = 0.54 Percent packed cell volume at 10 mg/kg per day per mouse ChEMBL. 7277393

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

1 literature reference was collected for this gene.

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