Detailed information for compound 1336181

Basic information

Technical information
  • TDR Targets ID: 1336181
  • Name: 3,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2 -pyridin-3-ylethyl]benzenesulfonamide
  • MW: 420.526 | Formula: C20H28N4O4S
  • H donors: 1 H acceptors: 3 LogP: 1.14 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)S(=O)(=O)NCC(c1cccnc1)N1CCN(CC1)C
  • InChi: 1S/C20H28N4O4S/c1-23-9-11-24(12-10-23)18(16-5-4-8-21-14-16)15-22-29(25,26)17-6-7-19(27-2)20(13-17)28-3/h4-8,13-14,18,22H,9-12,15H2,1-3H3
  • InChiKey: RDPQIQNFITWIPS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

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

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) intermediate filament protein 0.0028 0.3484 0.3484
Schistosoma mansoni hypothetical protein 0.0037 0.5656 0.5287
Schistosoma mansoni hypothetical protein 0.0035 0.5198 0.479
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0784 0.0336
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.9002 0.8953
Echinococcus multilocularis musashi 0.0028 0.3484 0.3405
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.5656 0.5604
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.3484 0.3484
Schistosoma mansoni lamin 0.0028 0.3484 0.2929
Onchocerca volvulus 0.0028 0.3484 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0784 0.0673
Echinococcus granulosus lamin dm0 0.0028 0.3484 0.3405
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0464 0.0464
Entamoeba histolytica hypothetical protein 0.0037 0.5656 0.5
Schistosoma mansoni intermediate filament proteins 0.0028 0.3484 0.2929
Entamoeba histolytica hypothetical protein 0.0037 0.5656 0.5
Echinococcus granulosus lamin 0.0028 0.3484 0.3405
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0784 0.0673
Loa Loa (eye worm) hypothetical protein 0.0035 0.5198 0.5198
Loa Loa (eye worm) hypothetical protein 0.0027 0.3365 0.3365
Entamoeba histolytica hypothetical protein 0.0037 0.5656 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0119 0.0119
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.9002 0.9002
Schistosoma mansoni lamin 0.0028 0.3484 0.2929
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Echinococcus granulosus intermediate filament protein 0.0028 0.3484 0.3405
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.5656 0.5287
Loa Loa (eye worm) hypothetical protein 0.0028 0.3484 0.3484
Loa Loa (eye worm) hypothetical protein 0.0051 0.9002 0.9002
Brugia malayi intermediate filament protein 0.0028 0.3484 0.3166
Echinococcus granulosus GPCR family 2 0.0016 0.0784 0.0673
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.5198 0.4964
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.3484 0.3166
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0784 0.0673
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0784 0.0673
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.9002 0.8953
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0784 0.0673
Loa Loa (eye worm) hypothetical protein 0.0016 0.0784 0.0784
Onchocerca volvulus 0.0028 0.3484 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 1 1
Entamoeba histolytica hypothetical protein 0.0037 0.5656 0.5
Brugia malayi hypothetical protein 0.0037 0.5656 0.5445
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0784 0.0336
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0784 0.0784
Echinococcus multilocularis lamin dm0 0.0028 0.3484 0.3405
Echinococcus multilocularis lamin 0.0028 0.3484 0.3405
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.5656 0.5604

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) 1.1689 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 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
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.

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