Detailed information for compound 1527139

Basic information

Technical information
  • TDR Targets ID: 1527139
  • Name: 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(oxola n-2-ylmethyl)piperidine-3-carboxamide
  • MW: 416.92 | Formula: C18H25ClN2O5S
  • H donors: 1 H acceptors: 3 LogP: 1.85 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1Cl)S(=O)(=O)N1CCCC(C1)C(=O)NCC1CCCO1
  • InChi: 1S/C18H25ClN2O5S/c1-25-17-7-6-15(10-16(17)19)27(23,24)21-8-2-4-13(12-21)18(22)20-11-14-5-3-9-26-14/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3,(H,20,22)
  • InChiKey: VBTPTHJMHICUHZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(tetrahydrofuran-2-ylmethyl)piperidine-3-carboxamide
  • 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-tetrahydrofuranylmethyl)-3-piperidinecarboxamide
  • 1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(tetrahydrofurfuryl)nipecotamide
  • 1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
  • STK212316

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

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
Trichomonas vaginalis glycogen phosphorylase, putative 0.0079 1 0.5
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0034 0.0019 0.5
Echinococcus multilocularis Glycosyl transferase, family 35 0.0079 1 1
Echinococcus granulosus glycogen phosphorylase 0.0079 1 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0079 1 0.5
Echinococcus multilocularis glycogen phosphorylase 0.0079 1 1
Chlamydia trachomatis glycogen phosphorylase 0.0079 1 0.5
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0034 0.0019 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.03 0.03
Schistosoma mansoni glycogen phosphorylase 0.0079 1 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0079 1 1
Loa Loa (eye worm) glycogen phosphorylase 0.0079 1 1
Schistosoma mansoni hypothetical protein 0.0043 0.2035 0.202
Entamoeba histolytica glycogen phosphorylase, putative 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.03 0.03
Echinococcus granulosus glycogen phosphorylase 0.0079 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.2035 0.202
Entamoeba histolytica hypothetical protein 0.0043 0.2035 0.202
Brugia malayi Fibroblast growth factor family protein 0.0036 0.03 0.03
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2035 0.202
Echinococcus granulosus Glycosyl transferase family 35 0.0079 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.2035 0.202
Onchocerca volvulus Glycogen phosphorylase homolog 0.0079 1 0.5
Schistosoma mansoni glycogen phosphorylase 0.0079 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.2035 0.202
Brugia malayi hypothetical protein 0.0043 0.2035 0.2035
Echinococcus multilocularis glycogen phosphorylase 0.0079 1 1
Brugia malayi Fibroblast growth factor family protein 0.0036 0.03 0.03
Giardia lamblia Glycogen phosphorylase 0.0079 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1836 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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

Bibliographic References

No literature references available for this target.

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