Detailed information for compound 155204

Basic information

Technical information
  • TDR Targets ID: 155204
  • Name: 2-chloro-1-[1-(4-methylphenyl)sulfonylpyrroli din-2-yl]ethanone
  • MW: 301.789 | Formula: C13H16ClNO3S
  • H donors: 0 H acceptors: 3 LogP: 2.33 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCC(=O)C1CCCN1S(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C13H16ClNO3S/c1-10-4-6-11(7-5-10)19(17,18)15-8-2-3-12(15)13(16)9-14/h4-7,12H,2-3,8-9H2,1H3
  • InChiKey: FYVAGIMTCLFTRI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-1-[1-(p-tolylsulfonyl)pyrrolidin-2-yl]ethanone
  • 2-chloro-1-[1-(p-tolylsulfonyl)-2-pyrrolidinyl]ethanone
  • 2-chloro-1-(1-tosylpyrrolidin-2-yl)ethanone
  • 2-chloro-1-[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]ethanone

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 ornithine aminotransferase 0.0021 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.5531 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.5531 1
Mycobacterium tuberculosis Probable aminotransferase 0.0151 1 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0151 1 1
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0021 0 0.5
Plasmodium vivax ornithine aminotransferase, putative 0.0021 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.5531 1
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0021 0 0.5
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0021 0 0.5
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0151 1 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.5531 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.5531 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.5531 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0151 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.5531 1
Mycobacterium ulcerans hypothetical protein 0.0151 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.5531 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.5531 0.5

Activities

Activity type Activity value Assay description Source Reference
ascrit (functional) = 30 Screening of Ehrlich ascites carcinoma cells in mice at 20 mg/kg/day intraperitoneally. ChEMBL. 7365742
Inhibition (functional) = 76.5 % Percentage inhibition as antitumor activity in carcinoma CF1 male mice. ChEMBL. 7365742
Inhibition (functional) = 76.5 % Percentage inhibition as antitumor activity in carcinoma CF1 male mice. ChEMBL. 7365742
Survival (functional) = 10.2 day Survival of the mice for average number of days; expressed as average survival days ChEMBL. 7365742
Survival (functional) = 10.2 day Survival of the mice for average number of days; expressed as average survival days ChEMBL. 7365742
Survival after 10 days (functional) = 5 Anticarcinoma activity of Diazomethyl Ketone against Ehrlich ascites Carcinoma pharmacological screens were reported; 5/8 ChEMBL. 7365742
T/C (functional) = 106 T/C expresses antileukemic activity measured as tested over that of control. ChEMBL. 7365742
Volume of ascrit fluid (functional) = 2.7 Volume of fluid collected 8 days after tumor transplantation in mice. ChEMBL. 7365742

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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