Detailed information for compound 737976

Basic information

Technical information
  • TDR Targets ID: 737976
  • Name: 2,5-diethoxy-N-(2,2,6,6-tetramethylpiperidin- 4-yl)benzenesulfonamide
  • MW: 384.533 | Formula: C19H32N2O4S
  • H donors: 2 H acceptors: 2 LogP: 2.92 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1S(=O)(=O)NC1CC(C)(C)NC(C1)(C)C)OCC
  • InChi: 1S/C19H32N2O4S/c1-7-24-15-9-10-16(25-8-2)17(11-15)26(22,23)20-14-12-18(3,4)21-19(5,6)13-14/h9-11,14,20-21H,7-8,12-13H2,1-6H3
  • InChiKey: LHXCHJFEFCFVEU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,5-diethoxy-N-(2,2,6,6-tetramethyl-4-piperidyl)benzenesulfonamide
  • 2,5-diethoxy-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
  • BAS 07803979
  • T5576109
  • MLS000715582
  • SMR000275561
  • 2,5-Diethoxy-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Onchocerca volvulus 0.0061 0.0142 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.0142 0.0643
Onchocerca volvulus 0.0061 0.0142 0.5
Toxoplasma gondii facilitative glucose transporter GT1 0.0436 0.2206 0.3201
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0061 0.0142 0.5
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0097 0.034 0.395
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0134 0.054 0.1428
Loa Loa (eye worm) major facilitator superfamily transporter 0.0061 0.0142 0.0643
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0061 0.0142 0.0376
Trypanosoma cruzi hexose transporter, putative 0.0135 0.0549 0.8107
Onchocerca volvulus 0.0061 0.0142 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.0423 0.1917
Trypanosoma cruzi hexose transporter, putative 0.0135 0.0549 0.8107
Plasmodium falciparum calcium-dependent protein kinase 5 0.0134 0.054 0.0404
Trichomonas vaginalis glucose transporter, putative 0.0135 0.0549 0.1973
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0134 0.054 0.0404
Brugia malayi Cam kinase protein 1 0.0134 0.054 0.2446
Trypanosoma cruzi hexose transporter 0.0135 0.0549 0.8107
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0436 0.2206 0.5837
Loa Loa (eye worm) hypothetical protein 0.0061 0.0142 0.0643
Echinococcus granulosus microtubule associated protein 2 0.0722 0.378 1
Onchocerca volvulus 0.0061 0.0142 0.5
Trichomonas vaginalis sugar transporter, putative 0.0135 0.0549 0.1973
Trypanosoma cruzi hexose transporter, putative 0.0074 0.0211 0.1383
Leishmania major glucose transporter, lmgt2 0.0135 0.0549 0.8107
Schistosoma mansoni hypothetical protein 0.0043 0.0044 0.0115
Plasmodium vivax lysine--tRNA ligase, putative 0.0097 0.034 0.0201
Onchocerca volvulus 0.0061 0.0142 0.5
Onchocerca volvulus Putative transporter 0.0061 0.0142 0.5
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0061 0.0142 0.2954
Mycobacterium ulcerans integral membrane transport protein 0.0061 0.0142 0.2954
Echinococcus multilocularis lysyl tRNA synthetase 0.0097 0.034 0.09
Schistosoma mansoni lysyl-tRNA synthetase 0.0097 0.034 0.09
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0131 0.0525 0.1389
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0097 0.034 0.395
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0436 0.2206 0.5837
Plasmodium falciparum proline--tRNA ligase 0.0152 0.0644 0.051
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0061 0.0142 0.2954
Loa Loa (eye worm) hypothetical protein 0.0061 0.0142 0.0643
Trypanosoma brucei THT1 - hexose transporter, putative 0.0135 0.0549 0.8107
Giardia lamblia Lysyl-tRNA synthetase 0.0097 0.034 0.5182
Leishmania major glucose transporter/membrane transporter D2, putative 0.0135 0.0549 0.8107
Schistosoma mansoni sugar transporter 0.0061 0.0142 0.0376
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0436 0.2206 0.5837
Loa Loa (eye worm) hypothetical protein 0.0061 0.0142 0.0643
Trypanosoma brucei glucose transporter, putative 0.0135 0.0549 0.8107
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0436 0.2206 0.5837
Loa Loa (eye worm) hypothetical protein 0.0061 0.0142 0.0643
Plasmodium falciparum calcium-dependent protein kinase 2 0.0134 0.054 0.0404
Loa Loa (eye worm) hypothetical protein 0.0061 0.0142 0.0643
Echinococcus multilocularis General substrate transporter 0.0375 0.1869 0.4944
Echinococcus multilocularis solute carrier family 22 0.0061 0.0142 0.0376
Plasmodium vivax CDK-related protein kinase 6, putative 0.185 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.0423 0.1917
Schistosoma mansoni sugar transporter 0.0061 0.0142 0.0376
Leishmania major lysyl-tRNA synthetase, putative 0.0097 0.034 0.395
Entamoeba histolytica protein kinase, putative 0.0134 0.054 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0142 0.0643
Mycobacterium ulcerans sugar transporter 0.0061 0.0142 0.2954
Brugia malayi Major Facilitator Superfamily protein 0.0061 0.0142 0.0643
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0131 0.0525 0.1855
Onchocerca volvulus 0.0061 0.0142 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.0142 0.0643
Onchocerca volvulus 0.0061 0.0142 0.5
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0134 0.054 0.1428
Echinococcus granulosus calcium dependent protein kinase 0.0125 0.0494 0.1308
Schistosoma mansoni glucose transport protein 0.0436 0.2206 0.5837
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0134 0.054 0.1428
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0134 0.054 0.2446
Onchocerca volvulus 0.0061 0.0142 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.0142 0.0643
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.0423 0.1917
Trypanosoma brucei glucose transporter, putative 0.0135 0.0549 0.8107
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0083 0.026 1
Trypanosoma brucei glucose transporter, putative 0.0135 0.0549 0.8107
Echinococcus multilocularis synaptic vesicle 2 protein 0.0061 0.0142 0.0376
Onchocerca volvulus 0.0061 0.0142 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.0549 0.1973
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0131 0.0525 0.1389
Trypanosoma brucei glucose transporter, putative 0.0135 0.0549 0.8107
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0044 0.0115
Echinococcus granulosus synaptic vesicle 2 protein 0.0061 0.0142 0.0376
Schistosoma mansoni glucose transporter 0.0061 0.0142 0.0376
Trypanosoma brucei glucose transporter, putative 0.0135 0.0549 0.8107
Brugia malayi Major Facilitator Superfamily protein 0.0061 0.0142 0.0643
Loa Loa (eye worm) sugar transporter 0.0061 0.0142 0.0643
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0097 0.034 1
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0097 0.034 0.3046
Echinococcus granulosus General substrate transporter 0.0375 0.1869 0.4944
Schistosoma mansoni lysyl-tRNA synthetase 0.0097 0.034 0.09
Onchocerca volvulus 0.0061 0.0142 0.5
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0134 0.054 0.7919
Loa Loa (eye worm) major facilitator superfamily transporter 0.0061 0.0142 0.0643
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0131 0.0525 0.2379
Plasmodium falciparum hexose transporter 0.0436 0.2206 0.2094
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0044 0.0115
Plasmodium falciparum lysine--tRNA ligase 0.0097 0.034 0.0201
Echinococcus granulosus solute carrier family 22 0.0061 0.0142 0.0376
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0134 0.054 0.0617
Loa Loa (eye worm) hypothetical protein 0.0131 0.0525 0.2379
Plasmodium falciparum calcium-dependent protein kinase 1 0.0134 0.054 0.0404
Plasmodium falciparum calcium-dependent protein kinase 3 0.0134 0.054 0.0404
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.0227 0.103
Echinococcus granulosus solute carrier family 22 0.0061 0.0142 0.0376
Echinococcus multilocularis calcium dependent protein kinase 0.0125 0.0494 0.1308
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0131 0.0525 0.97
Schistosoma mansoni serine/threonine protein kinase 0.0134 0.054 0.1428
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0044 0.0115
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0134 0.054 0.0404
Loa Loa (eye worm) hypothetical protein 0.0061 0.0142 0.0643
Trichomonas vaginalis CAMK family protein kinase 0.0134 0.054 0.1927
Loa Loa (eye worm) hypothetical protein 0.0097 0.034 0.1543
Echinococcus granulosus solute carrier family 22 0.0061 0.0142 0.0376
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0134 0.054 0.1428
Loa Loa (eye worm) sugar transporter 0.0436 0.2206 1
Onchocerca volvulus 0.0061 0.0142 0.5
Schistosoma mansoni hypothetical protein 0.0077 0.0227 0.0601
Brugia malayi hypothetical protein 0.0061 0.0142 0.0643
Trichomonas vaginalis glucose transporter, putative 0.0135 0.0549 0.1973
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0134 0.054 0.0617
Plasmodium falciparum protein kinase 7 0.1232 0.6591 0.6542
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0134 0.054 0.1428
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0134 0.054 0.1428
Brugia malayi Sugar transporter family protein 0.0436 0.2206 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0134 0.054 0.1428
Echinococcus multilocularis solute carrier family 22 0.0061 0.0142 0.0376
Brugia malayi Sugar transporter family protein 0.0061 0.0142 0.0643
Entamoeba histolytica hypothetical protein 0.0097 0.034 0.5982
Echinococcus granulosus solute carrier family 22 0.0061 0.0142 0.0376
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0134 0.054 0.1428
Brugia malayi hypothetical protein 0.0043 0.0044 0.0197
Brugia malayi major facilitator superfamily protein 0.0061 0.0142 0.0643
Trichomonas vaginalis sugar transporter, putative 0.0135 0.0549 0.1973
Loa Loa (eye worm) hypothetical protein 0.0061 0.0142 0.0643
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0436 0.2206 0.5837
Trypanosoma brucei glucose transporter 1E 0.0135 0.0549 0.8107
Schistosoma mansoni protein kinase 0.0134 0.054 0.1428
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0704 0.3686 0.5495
Plasmodium vivax hexose transporter 0.0436 0.2206 0.2094
Echinococcus granulosus Sugar transporter ERD6 protein 0.0061 0.0142 0.0376
Plasmodium vivax proline--tRNA ligase, putative 0.0152 0.0644 0.051
Onchocerca volvulus 0.0061 0.0142 0.5
Brugia malayi hypothetical protein 0.0061 0.0142 0.0643
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0436 0.2206 0.5837
Plasmodium falciparum mitogen-activated protein kinase 2 0.0704 0.3686 0.3595
Toxoplasma gondii protein kinase, putative 0.1232 0.6591 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0135 0.0549 0.8107
Trypanosoma cruzi hexose transporter, putative 0.0135 0.0549 0.8107
Schistosoma mansoni sugar transporter 0.0061 0.0142 0.0376
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.0549 0.1973
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0152 0.0644 1
Brugia malayi Sugar transporter family protein 0.0061 0.0142 0.0643
Schistosoma mansoni protein kinase 0.0134 0.054 0.1428
Echinococcus multilocularis microtubule associated protein 2 0.0722 0.378 1
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0134 0.054 0.0404
Brugia malayi hypothetical protein 0.0061 0.0142 0.0643
Trypanosoma brucei glucose transporter, putative 0.0135 0.0549 0.8107
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0131 0.0525 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0436 0.2206 0.5837
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0061 0.0142 0.0376
Brugia malayi Major Facilitator Superfamily protein 0.0061 0.0142 0.0643
Schistosoma mansoni glucose transport protein 0.0436 0.2206 0.5837
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0083 0.026 1
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0152 0.0644 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0097 0.034 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0142 0.0643
Echinococcus granulosus lysyl tRNA synthetase 0.0097 0.034 0.09
Schistosoma mansoni sugar transporter 0.0061 0.0142 0.0376
Echinococcus multilocularis solute carrier family 22 0.0061 0.0142 0.0376
Loa Loa (eye worm) hypothetical protein 0.0077 0.0227 0.103
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0152 0.0644 0.0779
Loa Loa (eye worm) hypothetical protein 0.0061 0.0142 0.0643
Loa Loa (eye worm) hypothetical protein 0.0134 0.054 0.2446
Treponema pallidum prolyl-tRNA synthetase 0.0046 0.0059 0.5
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0152 0.0644 1
Leishmania major protein kinase, putative 0.0134 0.054 0.7919
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0134 0.054 0.0617
Onchocerca volvulus 0.0061 0.0142 0.5
Onchocerca volvulus 0.0061 0.0142 0.5
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0054 0.01 0.0453
Entamoeba histolytica protein kinase, putative 0.0134 0.054 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0436 0.2206 0.5837
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0131 0.0525 0.1389
Toxoplasma gondii lysine-tRNA ligase 0.0097 0.034 0.0308
Trypanosoma brucei glucose transporter, putative 0.0135 0.0549 0.8107
Loa Loa (eye worm) hypothetical protein 0.0131 0.0525 0.2379
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0152 0.0644 1
Leishmania major glucose transporter, lmgt1 0.0135 0.0549 0.8107
Plasmodium vivax calcium-dependent protein kinase, putative 0.0134 0.054 0.0404
Loa Loa (eye worm) hypothetical protein 0.0112 0.0423 0.1917
Giardia lamblia Prolyl-tRNA synthetase 0.0131 0.0525 1
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0134 0.054 0.2446
Trypanosoma brucei glucose transporter 2A 0.0135 0.0549 0.8107
Brugia malayi lysyl-tRNA synthetase 0.0097 0.034 0.1543
Chlamydia trachomatis lysine--tRNA ligase 0.0097 0.034 1
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0152 0.0644 1
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0134 0.054 0.2446
Echinococcus multilocularis solute carrier family 22 0.0061 0.0142 0.0376
Brugia malayi major facilitator superfamily protein 0.0061 0.0142 0.0643
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0704 0.3686 0.3595
Trichomonas vaginalis conserved hypothetical protein 0.0436 0.2206 1
Leishmania major glucose transporter, lmgt3 0.0135 0.0549 0.8107
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0131 0.0525 0.1389
Trypanosoma brucei THT1 - hexose transporter, putative 0.0135 0.0549 0.8107
Trypanosoma brucei glucose transporter, putative 0.0135 0.0549 0.8107
Plasmodium falciparum calcium-dependent protein kinase 4 0.0134 0.054 0.0404
Loa Loa (eye worm) hypothetical protein 0.0061 0.0142 0.0643
Onchocerca volvulus 0.0061 0.0142 0.5
Trichomonas vaginalis sugar transporter, putative 0.0135 0.0549 0.1973
Loa Loa (eye worm) hypothetical protein 0.0106 0.039 0.1766
Schistosoma mansoni hypothetical protein 0.0436 0.2206 0.5837
Schistosoma mansoni microtubule-associated protein tau 0.0722 0.378 1
Schistosoma mansoni glucose transport protein 0.0436 0.2206 0.5837
Schistosoma mansoni protein kinase 0.0134 0.054 0.1428
Loa Loa (eye worm) hypothetical protein 0.0061 0.0142 0.0643
Onchocerca volvulus 0.0061 0.0142 0.5
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0131 0.0525 0.2379
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0085 0.0274 0.0641
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0097 0.034 0.0961

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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

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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