Detailed information for compound 1398709

Basic information

Technical information
  • TDR Targets ID: 1398709
  • Name: 1-(2,5-dimethoxyphenyl)sulfonyl-N-(3-methylph enyl)piperidine-4-carboxamide
  • MW: 418.507 | Formula: C21H26N2O5S
  • H donors: 1 H acceptors: 3 LogP: 2.71 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)C)OC
  • InChi: 1S/C21H26N2O5S/c1-15-5-4-6-17(13-15)22-21(24)16-9-11-23(12-10-16)29(25,26)20-14-18(27-2)7-8-19(20)28-3/h4-8,13-14,16H,9-12H2,1-3H3,(H,22,24)
  • InChiKey: UWGYJCMXOKGWRD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2,5-dimethoxyphenyl)sulfonyl-N-(3-methylphenyl)-4-piperidinecarboxamide
  • 1-(2,5-dimethoxyphenyl)sulfonyl-N-(3-methylphenyl)isonipecotamide
  • MLS000067445
  • 1-(2,5-Dimethoxy-benzenesulfonyl)-piperidine-4-carboxylic acid m-tolylamide
  • BAS 08170617
  • ZINC04501586
  • SMR000124969

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
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0076 0.2831 0.2388
Onchocerca volvulus 0.0173 0.8724 0.5
Brugia malayi hypothetical protein 0.0173 0.8724 1
Trichomonas vaginalis Sentrin-specific protease, putative 0.0076 0.2831 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0581 0.0667
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0076 0.2831 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.1679 0.1924
Trypanosoma cruzi hypothetical protein 0.0076 0.2831 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.1679 0.1924
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0076 0.2831 0.5
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0076 0.2831 0.3245
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.1679 0.1924
Loa Loa (eye worm) hypothetical protein 0.0039 0.0581 0.0667
Loa Loa (eye worm) hypothetical protein 0.0057 0.1679 0.1924
Loa Loa (eye worm) hypothetical protein 0.0173 0.8724 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0076 0.2831 0.5
Loa Loa (eye worm) Ulp1 protease 0.0076 0.2831 0.3245
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0076 0.2831 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.6511 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.5962 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) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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