Detailed information for compound 725080

Basic information

Technical information
  • TDR Targets ID: 725080
  • Name: 1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmet hyl)piperidine-3-carboxamide
  • MW: 403.495 | Formula: C20H25N3O4S
  • H donors: 1 H acceptors: 4 LogP: 1.64 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)NCc1ccccn1
  • InChi: 1S/C20H25N3O4S/c1-2-27-18-8-10-19(11-9-18)28(25,26)23-13-5-6-16(15-23)20(24)22-14-17-7-3-4-12-21-17/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,22,24)
  • InChiKey: MVVKKXZVDPIVLV-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(4-ethoxyphenyl)sulfonyl-N-(2-pyridylmethyl)piperidine-3-carboxamide
  • 1-(4-ethoxyphenyl)sulfonyl-N-(2-pyridylmethyl)-3-piperidinecarboxamide
  • 1-(4-ethoxyphenyl)sulfonyl-N-(2-pyridylmethyl)nipecotamide
  • BAS 12636292

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
Loa Loa (eye worm) hypothetical protein 0.0097 0.0143 0.0725
Brugia malayi Zona pellucida-like domain containing protein 0.0097 0.0143 0.0725
Brugia malayi hypothetical protein 0.0242 0.0423 0.214
Onchocerca volvulus 0.0097 0.0143 1
Schistosoma mansoni hypothetical protein 0.0049 0.0052 0.012
Plasmodium vivax dynein-related AAA-type ATPase, putative 0.0097 0.0143 0.5
Plasmodium falciparum thrombospondin-related anonymous protein 0.0097 0.0143 0.5
Onchocerca volvulus 0.0097 0.0143 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0143 0.0725
Brugia malayi von Willebrand factor type A domain containing protein 0.0097 0.0143 0.0725
Entamoeba histolytica hypothetical protein 0.004 0.0034 0.2382
Loa Loa (eye worm) hypothetical protein 0.0038 0.003 0.0152
Loa Loa (eye worm) hypothetical protein 0.0097 0.0143 0.0725
Loa Loa (eye worm) hypothetical protein 0.1047 0.1979 1
Schistosoma mansoni hypothetical protein 0.0038 0.003 0.0069
Toxoplasma gondii von Willebrand factor type A domain-containing protein 0.0097 0.0143 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0022 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0034 0.0079
Loa Loa (eye worm) hypothetical protein 0.0097 0.0143 0.0725
Plasmodium falciparum von Willebrand factor A domain-related protein 0.0097 0.0143 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.0143 0.0725
Loa Loa (eye worm) hypothetical protein 0.0097 0.0143 0.0725
Schistosoma mansoni hypothetical protein 0.0097 0.0143 0.0331
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0022 0 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0022 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.0143 0.0725
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.003 0.0152
Loa Loa (eye worm) hypothetical protein 0.0097 0.0143 0.0725
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.2269 0.4338 1
Brugia malayi hypothetical protein 0.004 0.0034 0.0173
Onchocerca volvulus 0.0097 0.0143 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0022 0 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0052 0.0263
Echinococcus multilocularis survival motor neuron protein 1 0.0242 0.0423 0.0423
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0022 0 0.5
Plasmodium falciparum circumsporozoite- and TRAP-related protein 0.0097 0.0143 0.5
Brugia malayi von Willebrand Factor 0.0097 0.0143 0.0725
Echinococcus granulosus voltage dependent calcium channel subunit 0.2366 0.4525 0.4525
Onchocerca volvulus 0.0097 0.0143 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0097 0.0143 1
Brugia malayi von Willebrand factor type A domain containing protein 0.0097 0.0143 0.0725
Loa Loa (eye worm) hypothetical protein 0.0097 0.0143 0.0725
Entamoeba histolytica hypothetical protein, conserved 0.0097 0.0143 1
Brugia malayi von Willebrand factor type A domain containing protein 0.0097 0.0143 0.0725
Plasmodium vivax von Willebrand factor A domain-related protein, putative 0.0097 0.0143 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.0143 0.0725
Plasmodium vivax circumsporozoite- and TRAP-related protein, putative 0.0097 0.0143 0.5
Plasmodium vivax hypothetical protein, conserved 0.0097 0.0143 0.5
Entamoeba histolytica hypothetical protein 0.0097 0.0143 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0143 0.0725
Entamoeba histolytica elongation factor-2 kinase, putative 0.0097 0.0143 1
Brugia malayi von Willebrand factor type A domain containing protein 0.0097 0.0143 0.0725
Entamoeba histolytica hypothetical protein, conserved 0.0097 0.0143 1
Onchocerca volvulus 0.0097 0.0143 1
Brugia malayi hypothetical protein 0.0097 0.0143 0.0725
Brugia malayi von Willebrand factor type A domain containing protein 0.0097 0.0143 0.0725
Brugia malayi von Willebrand factor type A domain containing protein 0.0097 0.0143 0.0725
Loa Loa (eye worm) CUTiclin-Like family member 0.0097 0.0143 0.0725
Loa Loa (eye worm) von Willebrand factor domain-containing protein 0.0097 0.0143 0.0725
Loa Loa (eye worm) hypothetical protein 0.0097 0.0143 0.0725
Loa Loa (eye worm) hypothetical protein 0.0097 0.0143 0.0725
Plasmodium vivax thrombospondin-related anonymous protein 0.0097 0.0143 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.004 0.0034 0.0079
Loa Loa (eye worm) hypothetical protein 0.0097 0.0143 0.0725
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.1144 0.2166 0.4992
Brugia malayi von Willebrand factor type A domain containing protein 0.0097 0.0143 0.0725
Entamoeba histolytica hypothetical protein 0.004 0.0034 0.2382
Schistosoma mansoni hypothetical protein 0.1222 0.2316 0.5339
Treponema pallidum methyl-accepting chemotaxis protein (mcp2-1) 0.4817 0.9258 1
Toxoplasma gondii microneme protein MIC2 0.0097 0.0143 1
Onchocerca volvulus 0.0097 0.0143 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0064 0.0323
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0064 0.0323
Loa Loa (eye worm) CUTiclin family member 0.0097 0.0143 0.0725
Echinococcus multilocularis voltage dependent calcium channel subunit 0.2366 0.4525 0.4525
Echinococcus multilocularis voltage dependent calcium channel subunit 0.5201 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0064 0.0323
Schistosoma mansoni survival motor neuron protein 0.0049 0.0052 0.012
Schistosoma mansoni hypothetical protein 0.0097 0.0143 0.0331
Brugia malayi Immunoglobulin I-set domain containing protein 0.0097 0.0143 0.0725
Brugia malayi Cache domain containing protein 0.1047 0.1979 1
Loa Loa (eye worm) hypothetical protein 0.0242 0.0423 0.214
Onchocerca volvulus 0.0097 0.0143 1
Brugia malayi von Willebrand factor type A domain containing protein 0.0097 0.0143 0.0725
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0064 0.0323
Echinococcus granulosus survival motor neuron protein 1 0.0242 0.0423 0.0423
Brugia malayi Zona pellucida-like domain containing protein 0.0097 0.0143 0.0725
Entamoeba histolytica hypothetical protein 0.004 0.0034 0.2382
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0097 0.0143 0.0725
Echinococcus multilocularis collagen alpha 1(VII) chain 0.0097 0.0143 0.0143
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0022 0 0.5
Echinococcus granulosus collagen alpha 1VII chain 0.0097 0.0143 0.0143
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0034 0.0034
Loa Loa (eye worm) von Willebrand factor type A domain-containing protein 0.0097 0.0143 0.0725
Entamoeba histolytica hypothetical protein 0.004 0.0034 0.2382
Schistosoma mansoni serine-rich repeat protein 0.1222 0.2316 0.5339

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 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

Species name Source Reference Is orphan
Homo sapiens 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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