Detailed information for compound 1441343

Basic information

Technical information
  • TDR Targets ID: 1441343
  • Name: 4-oxo-4-(4-phenylsulfonylpiperazin-1-yl)-N-(1 ,2,3,4-tetrahydronaphthalen-1-yl)butanamide
  • MW: 455.57 | Formula: C24H29N3O4S
  • H donors: 1 H acceptors: 4 LogP: 1.8 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC1CCCc2c1cccc2)CCC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1
  • InChi: 1S/C24H29N3O4S/c28-23(25-22-12-6-8-19-7-4-5-11-21(19)22)13-14-24(29)26-15-17-27(18-16-26)32(30,31)20-9-2-1-3-10-20/h1-5,7,9-11,22H,6,8,12-18H2,(H,25,28)
  • InChiKey: WVNBIOWVQKSDNF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-oxo-4-(4-phenylsulfonylpiperazin-1-yl)-N-tetralin-1-yl-butanamide
  • 4-oxo-4-(4-phenylsulfonyl-1-piperazinyl)-N-(1-tetralinyl)butanamide
  • 4-keto-4-(4-phenylsulfonylpiperazin-1-yl)-N-tetralin-1-yl-butyramide
  • MLS000881043
  • MLS000060568
  • SMR000064470

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Schistosoma mansoni 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
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase 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
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 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 hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative 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 cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose 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 hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
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
Echinococcus multilocularis proteasome (prosome, macropain) 0.0299 1 1
Plasmodium falciparum proteasome subunit beta type-5 0.0299 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0299 1 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.0299 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.5983 0.4584
Plasmodium falciparum triosephosphate isomerase 0.011 0.2582 0.2582
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0299 1 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.5983 0.4584
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0299 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0299 1 1
Leishmania major proteasome beta 5 subunit, putative 0.0299 1 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0299 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0299 1 1
Echinococcus granulosus proteasome prosome macropain 0.0299 1 1
Wolbachia endosymbiont of Brugia malayi triosephosphate isomerase 0.011 0.2582 0.5
Toxoplasma gondii proteasome subunit beta type, putative 0.0299 1 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0299 1 1
Treponema pallidum triosephosphate isomerase 0.011 0.2582 0.5
Onchocerca volvulus 0.0114 0.2719 0.5
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0299 1 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.4905 0.4905
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0299 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.5983 0.4584
Plasmodium vivax triosephosphate isomerase, putative 0.011 0.2582 0.2582
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0299 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.5983 0.4584
Schistosoma mansoni alpha-glucosidase 0.0169 0.4905 0.4905
Chlamydia trachomatis triosephosphate isomerase 0.011 0.2582 0.5
Mycobacterium ulcerans proteasome PrcB 0.0299 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.5983 0.4584
Schistosoma mansoni triosephosphate isomerase 0.011 0.2582 0.2582

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.7157 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) = 19.9526 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) = 19.9526 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) = 112.2018 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.