Detailed information for compound 1417476

Basic information

Technical information
  • TDR Targets ID: 1417476
  • Name: N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylp iperidine-3-carboxamide
  • MW: 372.91 | Formula: C17H25ClN2O3S
  • H donors: 1 H acceptors: 3 LogP: 2.76 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCc1ccc(cc1)Cl
  • InChi: 1S/C17H25ClN2O3S/c1-2-12-24(22,23)20-11-3-4-15(13-20)17(21)19-10-9-14-5-7-16(18)8-6-14/h5-8,15H,2-4,9-13H2,1H3,(H,19,21)
  • InChiKey: FPFJGNVVGJROQP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonyl-piperidine-3-carboxamide
  • N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonyl-3-piperidinecarboxamide
  • N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonyl-nipecotamide
  • MLS000046608
  • N-[2-(4-chlorophenyl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
  • SMR000032619
  • EU-0098007

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Loa Loa (eye worm) acetyltransferase 0.0175 0.8778 0.8778
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.8778 0.8778
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.1385 0.1385
Echinococcus multilocularis tar DNA binding protein 0.0129 0.6163 0.6163
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0129 0.6163 0.6163
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.1385 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.4248 0.4248
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.4248 0.4839
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.1385 0.1385
Schistosoma mansoni hypothetical protein 0.0041 0.1244 0.1417
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.1825 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.4248 0.4839
Loa Loa (eye worm) hypothetical protein 0.006 0.2316 0.2316
Schistosoma mansoni alpha-glucosidase 0.0169 0.8458 0.9636
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.1825 0.1825
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.8502 0.8502
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.4248 0.4248
Schistosoma mansoni tar DNA-binding protein 0.0129 0.6163 0.7021
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.1825 0.5
Echinococcus granulosus tar DNA binding protein 0.0129 0.6163 0.6163
Brugia malayi RNA binding protein 0.0129 0.6163 0.6163
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2316 0.2316
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.1825 1
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1583 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.8458 0.9636
Schistosoma mansoni alpha glucosidase 0.0044 0.1385 0.1578
Onchocerca volvulus 0.0114 0.5332 0.5
Trypanosoma brucei glucosidase, putative 0.0044 0.1385 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.8778 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1583 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.1385 0.1385
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2316 0.2316
Schistosoma mansoni tar DNA-binding protein 0.0129 0.6163 0.7021
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.4248 0.4839
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.5587 0.5587
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.4248 0.4248
Schistosoma mansoni tar DNA-binding protein 0.0129 0.6163 0.7021
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.1825 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.1385 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.1825 1
Brugia malayi TAR-binding protein 0.0129 0.6163 0.6163
Schistosoma mansoni tar DNA-binding protein 0.0129 0.6163 0.7021
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.1385 0.5
Loa Loa (eye worm) RNA binding protein 0.0129 0.6163 0.6163
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.1385 0.1385
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 0.6163 0.6163
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.4248 0.4248
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2316 0.2316
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.8778 0.8778
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1244 0.1244
Loa Loa (eye worm) hypothetical protein 0.0041 0.1244 0.1244
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 1 1
Brugia malayi MH2 domain containing protein 0.0118 0.5587 0.5587
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.4248 0.4248
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1583 0.5
Loa Loa (eye worm) TAR-binding protein 0.0129 0.6163 0.6163
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.4248 0.4248
Schistosoma mansoni tar DNA-binding protein 0.0129 0.6163 0.7021
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.5587 0.5587

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 31.6228 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

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.
 
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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