Detailed information for compound 622113

Basic information

Technical information
  • TDR Targets ID: 622113
  • Name: 3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl) sulfonylphenyl]benzamide
  • MW: 451.538 | Formula: C24H25N3O4S
  • H donors: 1 H acceptors: 4 LogP: 3.18 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1c1cccnc1
  • InChi: 1S/C24H25N3O4S/c1-31-21-8-4-6-18(16-21)24(28)26-20-10-12-22(13-11-20)32(29,30)27-15-3-2-9-23(27)19-7-5-14-25-17-19/h4-8,10-14,16-17,23H,2-3,9,15H2,1H3,(H,26,28)
  • InChiKey: SHHLUDNQRJAPLV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-methoxy-N-[4-[[2-(3-pyridyl)-1-piperidyl]sulfonyl]phenyl]benzamide
  • 3-methoxy-N-[4-[[2-(3-pyridyl)-1-piperidinyl]sulfonyl]phenyl]benzamide
  • EU-0095128
  • Oprea1_640657

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.02 0.3925
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0176 0.051 0.1352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.011 0.0246 0.4087
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Echinococcus granulosus serine protein kinase ATM 0.0099 0.02 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.02 0.3062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.02 0.3062
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.02 0.3062
Trypanosoma cruzi hypothetical protein, conserved 0.0883 0.3367 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.02 0.3062
Echinococcus multilocularis serine protein kinase ATM 0.0099 0.02 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.011 0.0246 0.1478
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Giardia lamblia GTOR 0.0176 0.051 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0176 0.051 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0176 0.051 0.1352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.02 0.3062
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0099 0.02 0.0414
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0176 0.051 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0176 0.051 0.0405
Loa Loa (eye worm) hypothetical protein 0.011 0.0246 0.4823
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.0109 0.1025
Loa Loa (eye worm) phosphatidylinositol 3 0.0176 0.051 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0109 0.2143
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0099 0.02 0.3925
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0176 0.051 0.1352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0099 0.02 0.3925
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0176 0.051 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0064 0.1245
Toxoplasma gondii non-specific serine/threonine protein kinase 0.011 0.0246 0.1478
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.02 0.3062
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0176 0.051 0.1352
Toxoplasma gondii target of rapamycin (TOR), putative 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0176 0.051 0.0405
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0176 0.051 0.1352
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.02 0.3062
Schistosoma mansoni fkbp-rapamycin associated protein 0.0099 0.02 0.2269
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0099 0.02 0.0092
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.2524 1 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0176 0.051 1
Leishmania major hypothetical protein, conserved 0.0917 0.3504 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0099 0.02 0.0414
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0176 0.051 1
Trichomonas vaginalis conserved hypothetical protein 0.011 0.0246 0.4087
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0176 0.051 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0176 0.051 0.0405
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0099 0.02 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0176 0.051 1
Brugia malayi FAT domain containing protein 0.0077 0.0109 0.2143
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0099 0.02 0.2269
Trichomonas vaginalis PIKK family atypical protein kinase 0.0176 0.051 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.02 0.3062
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0176 0.051 0.0405
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0176 0.051 1

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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