Detailed information for compound 1007274

Basic information

Technical information
  • TDR Targets ID: 1007274
  • Name: N-(pyridin-3-ylmethyl)-1-(2,4,6-trimethylphen yl)sulfonylpiperidine-4-carboxamide
  • MW: 401.522 | Formula: C21H27N3O3S
  • H donors: 1 H acceptors: 4 LogP: 2.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)S(=O)(=O)c1c(C)cc(cc1C)C)NCc1cccnc1
  • InChi: 1S/C21H27N3O3S/c1-15-11-16(2)20(17(3)12-15)28(26,27)24-9-6-19(7-10-24)21(25)23-14-18-5-4-8-22-13-18/h4-5,8,11-13,19H,6-7,9-10,14H2,1-3H3,(H,23,25)
  • InChiKey: JNJXMYRXMWQFNY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-pyridylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide
  • N-(3-pyridylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide
  • N-(3-pyridylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-isonipecotamide
  • N-(pyridin-3-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide
  • BAS 06814170
  • ZINC00803260
  • STK159881

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
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1788 0.1788
Echinococcus granulosus TRP transient receptor potential channel 0.0039 0.0912 0.0912
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0912 0.1999
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1734 0.465
Loa Loa (eye worm) hypothetical protein 0.0105 0.4559 1
Brugia malayi Transient-receptor-potential like protein 0.0039 0.0912 0.2444
Echinococcus granulosus transient receptor potential ion channel A 0.0102 0.4366 0.4366
Brugia malayi PHD-finger family protein 0.003 0.0405 0.1086
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1788 0.4793
Echinococcus granulosus transient receptor potential gamma protein 0.0105 0.4559 0.4559
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0 0.5
Schistosoma mansoni transient receptor potential channel 0.007 0.2593 0.2593
Brugia malayi Bromodomain containing protein 0.0046 0.1294 0.3469
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1788 0.1788
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1734 0.465
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.1137 0.1137
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0791 0.212
Loa Loa (eye worm) hypothetical protein 0.0049 0.1456 0.3193
Schistosoma mansoni zinc finger protein 0.0024 0.0051 0.0051
Echinococcus multilocularis short transient receptor potential channel 6 0.007 0.2593 0.2593
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0248 0.0248
Echinococcus multilocularis geminin 0.0204 1 1
Brugia malayi Bromodomain containing protein 0.009 0.373 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1788 0.3922
Echinococcus multilocularis transient receptor potential gamma protein 0.0105 0.4559 0.4559
Echinococcus granulosus short transient receptor potential channel 6 0.007 0.2593 0.2593
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1788 0.1788
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0121 0.0266
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1788 0.1788
Schistosoma mansoni hypothetical protein 0.0025 0.0121 0.0121
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0248 0.0248
Trichomonas vaginalis ap endonuclease, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0718 0.1575
Schistosoma mansoni transient receptor potential channel 0.0105 0.4559 0.4559
Echinococcus granulosus zinc finger protein 0.0024 0.0051 0.0051
Schistosoma mansoni hypothetical protein 0.0204 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2715 0.2715
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2715 0.2715
Trichomonas vaginalis ap endonuclease, putative 0.0023 0 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.0054 0.1734 0.3804
Echinococcus granulosus short transient receptor potential channel 6 0.007 0.2593 0.2593
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1788 0.1788
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1788 0.1788
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1734 0.3804
Loa Loa (eye worm) hypothetical protein 0.0085 0.3446 0.7559
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0039 0.0912 0.0912
Echinococcus multilocularis short transient receptor potential channel 6 0.007 0.2593 0.2593
Loa Loa (eye worm) hypothetical protein 0.0051 0.1583 0.3471
Schistosoma mansoni transient receptor potential channel 4 0.0105 0.4559 0.4559
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1788 0.1788
Loa Loa (eye worm) hypothetical protein 0.0037 0.0791 0.1734
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0248 0.0248
Schistosoma mansoni transient receptor potential channel 0.007 0.2593 0.2593
Schistosoma mansoni bromodomain containing protein 0.0076 0.2952 0.2952
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.1137 0.1137
Loa Loa (eye worm) hypothetical protein 0.0066 0.2399 0.5262
Schistosoma mansoni hypothetical protein 0.0204 1 1
Echinococcus multilocularis transient receptor potential ion channel A 0.0102 0.4366 0.4366
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0 0.5
Echinococcus multilocularis zinc finger protein 0.0024 0.0051 0.0051
Toxoplasma gondii exonuclease III APE 0.0023 0 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.1299 0.2848

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 23 % Inhibition of epoxide hydrolase at 200 nm ChEMBL. 19303288

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

1 literature reference was collected for this gene.

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