Detailed information for compound 1497986

Basic information

Technical information
  • TDR Targets ID: 1497986
  • Name: N-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl )sulfonylbenzamide
  • MW: 388.481 | Formula: C20H24N2O4S
  • H donors: 1 H acceptors: 3 LogP: 3.16 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C
  • InChi: 1S/C20H24N2O4S/c1-15-11-13-22(14-12-15)27(24,25)17-9-7-16(8-10-17)20(23)21-18-5-3-4-6-19(18)26-2/h3-10,15H,11-14H2,1-2H3,(H,21,23)
  • InChiKey: GCJWYHLCASKTOM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-methoxyphenyl)-4-[(4-methyl-1-piperidyl)sulfonyl]benzamide
  • N-(2-methoxyphenyl)-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide
  • N-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonyl-benzamide
  • ZINC01324964
  • ASN 05063758
  • Oprea1_647099
  • N-(2-Methoxy-phenyl)-4-(4-methyl-piperidine-1-sulfonyl)-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
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
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.5459 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.5459 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Leishmania major DNA polymerase eta, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.4837 0.4837
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0 0.5
Leishmania major DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.5459 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Trypanosoma brucei unspecified product 0.0023 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.5459 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.5459 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.5459 1
Brugia malayi hypothetical protein 0.0043 0.5459 0.5459
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.5459 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.4837 0.4837
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.4837 0.8861
Entamoeba histolytica hypothetical protein 0.0043 0.5459 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Giardia lamblia DINP protein human, muc B family 0.0023 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4147 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) 8.1995 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) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 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
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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