Detailed information for compound 1066220

Basic information

Technical information
  • TDR Targets ID: 1066220
  • Name: N-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylet hyl]-3,4-dimethoxybenzenesulfonamide
  • MW: 434.552 | Formula: C21H30N4O4S
  • H donors: 1 H acceptors: 3 LogP: 1.5 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)C(c1cccnc1)CNS(=O)(=O)c1ccc(c(c1)OC)OC
  • InChi: 1S/C21H30N4O4S/c1-4-24-10-12-25(13-11-24)19(17-6-5-9-22-15-17)16-23-30(26,27)18-7-8-20(28-2)21(14-18)29-3/h5-9,14-15,19,23H,4,10-13,16H2,1-3H3
  • InChiKey: LGEWAZWXXKVYEK-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(4-ethylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-3,4-dimethoxy-benzenesulfonamide
  • N-[2-(4-ethyl-1-piperazinyl)-2-(3-pyridyl)ethyl]-3,4-dimethoxybenzenesulfonamide
  • N-[2-(4-ethylpiperazin-1-yl)-2-pyridin-3-yl-ethyl]-3,4-dimethoxy-benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.002 0.0574 0.0574
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0574 0.0574
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0574 0.0614
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0289 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0574 0.0614
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0289 0.5
Schistosoma mansoni hypothetical protein 0.0068 0.3458 0.37
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.5162 0.5522
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0289 0.5
Echinococcus multilocularis expressed conserved protein 0.0091 0.481 0.5146
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0289 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0574 0.0574
Echinococcus multilocularis musashi 0.0028 0.1013 0.1083
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.3687 0.3944
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.5356 0.5356
Schistosoma mansoni thyroid hormone receptor 0.002 0.0574 0.0614
Loa Loa (eye worm) hypothetical protein 0.0097 0.5162 0.5162
Onchocerca volvulus 0.0028 0.1013 0.0466
Schistosoma mansoni intermediate filament proteins 0.0028 0.1013 0.1083
Echinococcus granulosus geminin 0.0167 0.9347 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0574 0.0614
Echinococcus multilocularis protein patched 0.0042 0.1848 0.1977
Loa Loa (eye worm) hypothetical protein 0.0042 0.1848 0.1848
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2671 0.2858
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0244 0.0244
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0289 0.5
Entamoeba histolytica heat shock transcription factor, putative 0.0097 0.5203 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0289 0.0289
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0244 0.0244
Brugia malayi steroid hormone receptor 0.002 0.0574 0.0574
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0574 0.0574
Schistosoma mansoni hypothetical protein 0.004 0.1758 0.1881
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0289 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.0032 0.1255 0.1255
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0289 0.5
Brugia malayi Latrophilin receptor protein 2 0.0032 0.1255 0.1255
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0289 0.0309
Echinococcus multilocularis geminin 0.0167 0.9347 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0574 0.0614
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2671 0.2858
Entamoeba histolytica heat shock transcription factor, putative 0.0097 0.5203 1
Schistosoma mansoni hypothetical protein 0.0167 0.9347 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.3458 0.3458
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0289 0.0309
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.5356 0.5356
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0574 0.0574
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2671 0.2671
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0574 0.0614
Loa Loa (eye worm) hypothetical protein 0.0028 0.1013 0.1013
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.1255 0.1343
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0574 0.0614
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.1255 0.1343
Echinococcus granulosus lamin 0.0028 0.1013 0.1083
Echinococcus multilocularis lamin dm0 0.0028 0.1013 0.1083
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.3687 0.3944
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0574 0.0614
Brugia malayi nuclear hormone receptor 0.002 0.0574 0.0574
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0574 0.0614
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0574 0.0614
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0574 0.0574
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0574 0.0574
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0289 0.5
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0574 0.0574
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0574 0.0614
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0574 0.0614
Schistosoma mansoni coup transcription factor 0.002 0.0574 0.0614
Schistosoma mansoni hypothetical protein 0.0032 0.1255 0.1343
Echinococcus multilocularis GPCR, family 2 0.0032 0.1255 0.1343
Schistosoma mansoni hypothetical protein 0.0032 0.1255 0.1343
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.1255 0.1255
Schistosoma mansoni lamin 0.0028 0.1013 0.1083
Loa Loa (eye worm) hypothetical protein 0.002 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.0013 0.0156 0.0156
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.3687 0.3944
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0574 0.0574
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.3458 0.3458
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0289 0.0309
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.1848 0.1977
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0574 0.0614
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0574 0.0614
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0574 0.0614
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0574 0.0614
Brugia malayi ecdysteroid receptor 0.002 0.0574 0.0574
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0177 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0574 0.0574
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0574 0.0614
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.5162 0.5162
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2671 0.2858
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0574 0.0614
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0574 0.0614
Schistosoma mansoni hypothetical protein 0.0072 0.3687 0.3944
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0289 0.0309
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0574 0.0614
Loa Loa (eye worm) hypothetical protein 0.0013 0.0126 0.0126
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2671 0.2858
Entamoeba histolytica heat shock transcription factor, putative 0.0097 0.5203 1
Echinococcus granulosus Protein patched homolog 1 0.0042 0.1848 0.1977
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0574 0.0574
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.1255 0.1255
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0574 0.0614
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.5162 0.9728
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0156 0.0167
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0574 0.0574
Schistosoma mansoni thyroid hormone receptor 0.002 0.0574 0.0614
Loa Loa (eye worm) hypothetical protein 0.0097 0.5203 0.5203
Brugia malayi isocitrate dehydrogenase 0.0016 0.0289 0.0289
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0574 0.0614
Echinococcus granulosus intermediate filament protein 0.0028 0.1013 0.1083
Schistosoma mansoni hypothetical protein 0.004 0.1758 0.1881
Onchocerca volvulus Heat shock factor protein 2 homolog 0.0097 0.5203 0.4911
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.7652 0.8187
Schistosoma mansoni hypothetical protein 0.004 0.1758 0.1881
Loa Loa (eye worm) hypothetical protein 0.0177 1 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.1848 0.1977
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.002 0.0574 0.0574
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0289 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.5162 0.5522
Loa Loa (eye worm) intermediate filament protein 0.0028 0.1013 0.1013
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0574 0.0574
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0574 0.0574
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.5251 0.5618
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0574 0.0614
Loa Loa (eye worm) hypothetical protein 0.002 0.0574 0.0574
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2671 0.2858
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.1255 0.1343
Echinococcus granulosus GPCR family 2 0.0032 0.1255 0.1343
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0156 0.0167
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.1013 0.1013
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.5356 0.5356
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0289 0.5
Echinococcus granulosus expressed conserved protein 0.0091 0.481 0.5146
Brugia malayi HSF-type DNA-binding domain containing protein 0.0097 0.5203 0.5203
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0574 0.0614
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.1848 0.1848
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0574 0.0574
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1848 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0574 0.0574
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.7652 0.8187
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0574 0.0574
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.002 0.0574 0.0574
Brugia malayi hypothetical protein 0.0072 0.3687 0.3687
Schistosoma mansoni patched 1 0.0042 0.1848 0.1977
Loa Loa (eye worm) hypothetical protein 0.0013 0.0126 0.0126
Schistosoma mansoni nuclear hormone receptor 0.002 0.0574 0.0614
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0574 0.0574
Echinococcus granulosus lamin dm0 0.0028 0.1013 0.1083
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.1013 0.1013
Schistosoma mansoni hypothetical protein 0.0032 0.1255 0.1343
Loa Loa (eye worm) hypothetical protein 0.0051 0.2409 0.2409
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0574 0.0574
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2671 0.2858
Schistosoma mansoni hypothetical protein 0.0032 0.1255 0.1343
Loa Loa (eye worm) hypothetical protein 0.01 0.5356 0.5356
Schistosoma mansoni hypothetical protein 0.0167 0.9347 1
Echinococcus multilocularis protein dispatched 1 0.0047 0.22 0.2354
Loa Loa (eye worm) hypothetical protein 0.0027 0.0982 0.0982
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0574 0.0574
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2671 0.2671
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0574 0.0614
Echinococcus multilocularis lamin 0.0028 0.1013 0.1083
Loa Loa (eye worm) hypothetical protein 0.002 0.0574 0.0574
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2671 0.2858
Loa Loa (eye worm) hypothetical protein 0.002 0.0574 0.0574
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0574 0.0574
Schistosoma mansoni lamin 0.0028 0.1013 0.1083
Brugia malayi CHE-14 protein 0.0042 0.1848 0.1848
Schistosoma mansoni hypothetical protein 0.004 0.1758 0.1881
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0289 0.0309
Brugia malayi nuclear receptor NHR-88 0.002 0.0574 0.0574
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0289 0.0289
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0574 0.0574
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0574 0.0614
Echinococcus granulosus FTZ F1 alpha 0.002 0.0574 0.0614
Onchocerca volvulus 0.0028 0.1013 0.0466
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0574 0.0574
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0574 0.0614
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0289 0.0309
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.1255 0.1343
Brugia malayi intermediate filament protein 0.0028 0.1013 0.1013
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0289 0.0309

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 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) 112.2018 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

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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