Detailed information for compound 729224

Basic information

Technical information
  • TDR Targets ID: 729224
  • Name: 5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylme thyl)benzenesulfonamide
  • MW: 326.799 | Formula: C14H15ClN2O3S
  • H donors: 1 H acceptors: 3 LogP: 2.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(C)c(cc1S(=O)(=O)NCc1ccccn1)Cl
  • InChi: 1S/C14H15ClN2O3S/c1-10-7-13(20-2)14(8-12(10)15)21(18,19)17-9-11-5-3-4-6-16-11/h3-8,17H,9H2,1-2H3
  • InChiKey: YUVATKQDYAWWKS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-chloro-2-methoxy-4-methyl-N-(2-pyridylmethyl)benzenesulfonamide
  • 5-chloro-2-methoxy-4-methyl-N-(2-pyridinylmethyl)benzenesulfonamide
  • AP-263/42373550
  • MLS001205488
  • SMR000524173
  • 5-Chloro-2-methoxy-4-methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
  • BAS 07803889
  • ZINC00609960

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0258 0.3356 0.3356
Brugia malayi MH1 domain containing protein 0.0017 0.0024 0.0073
Loa Loa (eye worm) hypothetical protein 0.0017 0.0026 0.0078
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0003 0.0009
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0017 0.0026 0.0026
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0024 0.0024
Schistosoma mansoni thyroid hormone receptor 0.0291 0.3812 0.3812
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0024 0.0073
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.0241 0.0731
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0033 0.0241 0.0731
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0024 0.0073
Mycobacterium ulcerans lipase LipD 0.0078 0.086 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.0241 0.0241
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0033 0.0241 0.0241
Toxoplasma gondii ABC1 family protein 0.0078 0.086 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.086 0.2611
Brugia malayi Smad1 0.0017 0.0024 0.0073
Loa Loa (eye worm) hypothetical protein 0.0033 0.0241 0.0731
Echinococcus granulosus lamin 0.0027 0.0158 0.0158
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0336 0.0336
Schistosoma mansoni hypothetical protein 0.0034 0.0256 0.0256
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0024 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0033 0.0241 0.0731
Echinococcus granulosus ecdysone induced protein 78C 0.0033 0.0241 0.0241
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0003 0.0003
Echinococcus granulosus lamin dm0 0.0027 0.0158 0.0158
Loa Loa (eye worm) MH2 domain-containing protein 0.0254 0.3295 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.086 0.2611
Loa Loa (eye worm) steroid hormone receptor 0.0033 0.0241 0.0731
Brugia malayi nuclear receptor RXR 0.0017 0.0026 0.0078
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0003 0.0009
Brugia malayi beta-lactamase family protein 0.0078 0.086 0.2611
Leishmania major hypothetical protein, conserved 0.0078 0.086 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0033 0.0241 0.0241
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0033 0.0241 0.0731
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0256 0.0777
Echinococcus multilocularis smad 0.0017 0.0024 0.0024
Onchocerca volvulus 0.0078 0.086 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0033 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0033 0.0241 0.0731
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.086 0.5
Echinococcus granulosus FTZ F1 alpha 0.0033 0.0241 0.0241
Trichomonas vaginalis esterase, putative 0.0078 0.086 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0033 0.0241 0.0731
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0033 0.0241 0.0731
Brugia malayi photoreceptor-specific nuclear receptor 0.0033 0.0241 0.0731
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0474 0.1438
Loa Loa (eye worm) hypothetical protein 0.0017 0.0026 0.0078
Brugia malayi hypothetical protein 0.004 0.0336 0.1018
Loa Loa (eye worm) hypothetical protein 0.0033 0.0241 0.0731
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0024 0.0024
Mycobacterium leprae Probable lipase LipE 0.0078 0.086 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0158 0.0479
Schistosoma mansoni hypothetical protein 0.0016 0.0003 0.0003
Trypanosoma brucei hypothetical protein, conserved 0.0078 0.086 0.5
Brugia malayi steroid hormone receptor 0.0033 0.0241 0.0731
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0158 0.0479
Echinococcus granulosus beta LACTamase domain containing family member 0.0078 0.086 0.086
Onchocerca volvulus 0.0027 0.0158 0.1833
Echinococcus multilocularis thyroid hormone receptor alpha 0.0291 0.3812 0.3812
Schistosoma mansoni Smad4 0.0017 0.0024 0.0024
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.0241 0.0241
Schistosoma mansoni nuclear hormone receptor 0.0033 0.0241 0.0241
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0033 0.0241 0.0241
Onchocerca volvulus Bile acid receptor homolog 0.0033 0.0241 0.2798
Loa Loa (eye worm) hypothetical protein 0.0027 0.0158 0.0479
Onchocerca volvulus 0.0078 0.086 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0033 0.0241 0.0241
Onchocerca volvulus 0.0033 0.0241 0.2798
Loa Loa (eye worm) Smad1 0.0017 0.0024 0.0073
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.086 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0033 0.0241 0.0241
Brugia malayi hypothetical protein 0.0017 0.0026 0.0078
Loa Loa (eye worm) hypothetical protein 0.0078 0.086 0.2611
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0158 0.0479
Loa Loa (eye worm) hypothetical protein 0.0017 0.0026 0.0078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0033 0.0241 0.0731
Loa Loa (eye worm) hypothetical protein 0.0033 0.0241 0.0731
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0474 0.1438
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0026 0.0078
Brugia malayi beta-lactamase family protein 0.0078 0.086 0.2611
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.0241 0.0731
Trichomonas vaginalis penicillin-binding protein, putative 0.0078 0.086 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.0241 0.0241
Schistosoma mansoni lamin 0.0027 0.0158 0.0158
Brugia malayi MH2 domain containing protein 0.0017 0.0024 0.0073
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0078 0.086 0.2611
Schistosoma mansoni hypothetical protein 0.0016 0.0003 0.0003
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0033 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0078 0.086 0.2611
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0033 0.0241 0.0241
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0258 0.3356 0.3356
Loa Loa (eye worm) hypothetical protein 0.005 0.0474 0.1438
Mycobacterium ulcerans beta-lactamase 0.0078 0.086 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0078 0.086 0.086
Loa Loa (eye worm) hypothetical protein 0.0033 0.0241 0.0731
Brugia malayi hypothetical protein 0.0017 0.0026 0.0078
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0033 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0033 0.0241 0.0731
Loa Loa (eye worm) hypothetical protein 0.0034 0.0256 0.0777
Trichomonas vaginalis penicillin-binding protein, putative 0.0078 0.086 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.0003 0.0003
Schistosoma mansoni smad 0.0017 0.0024 0.0024
Mycobacterium leprae conserved hypothetical protein 0.0078 0.086 0.5
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0024 0.0024
Entamoeba histolytica hypothetical protein 0.004 0.0336 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.0241 0.0731
Brugia malayi Steroid receptor seven-up type 2 0.0033 0.0241 0.0731
Loa Loa (eye worm) hypothetical protein 0.0026 0.0151 0.0458
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.0241 0.0731
Schistosoma mansoni coup transcription factor 0.0033 0.0241 0.0241
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0033 0.0241 0.0731
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.0241 0.0241
Plasmodium vivax hypothetical protein, conserved 0.0078 0.086 0.5
Brugia malayi nuclear receptor NHR-88 0.0033 0.0241 0.0731
Schistosoma mansoni smad1 5 8 and 0.0017 0.0024 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0033 0.0241 0.0731
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0003 0.0003
Mycobacterium ulcerans esterase/lipase LipP 0.0078 0.086 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0033 0.0241 0.0731
Schistosoma mansoni steroid hormone receptor ad4bp 0.0033 0.0241 0.0241
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0033 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0017 0.0026 0.0078
Loa Loa (eye worm) hypothetical protein 0.0033 0.0241 0.0731
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.086 0.5
Brugia malayi MH2 domain containing protein 0.0254 0.3295 1
Echinococcus multilocularis Smad4 0.0017 0.0024 0.0024
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0033 0.0241 0.0241
Schistosoma mansoni smad1 5 8 and 0.0017 0.0024 0.0024
Schistosoma mansoni thyroid hormone receptor 0.0291 0.3812 0.3812
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0033 0.0241 0.0241
Schistosoma mansoni RAR-like nuclear receptor 0.0033 0.0241 0.0241
Brugia malayi beta-lactamase 0.0078 0.086 0.2611
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0474 0.1438
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0033 0.0241 0.0731
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0078 0.086 0.2611
Entamoeba histolytica hypothetical protein 0.004 0.0336 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.086 0.2611
Echinococcus granulosus Smad4 0.0017 0.0024 0.0024
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0033 0.0241 0.0731
Onchocerca volvulus 0.0027 0.0158 0.1833
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0026 0.0078
Schistosoma mansoni smad1 5 8 and 0.0017 0.0024 0.0024
Schistosoma mansoni hypothetical protein 0.0016 0.0003 0.0003
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0078 0.086 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.0241 0.0731
Echinococcus granulosus smad 0.0017 0.0024 0.0024
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0017 0.0026 0.0078
Brugia malayi MH1 domain containing protein 0.0017 0.0024 0.0073
Echinococcus multilocularis microtubule associated protein 2 0.0738 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0033 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0033 0.0241 0.0731
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0033 0.0241 0.2798
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0003 0.0003
Entamoeba histolytica hypothetical protein 0.004 0.0336 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0033 0.0241 0.0731
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0496 0.6655 1
Schistosoma mansoni lamin 0.0027 0.0158 0.0158
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.0241 0.0731
Echinococcus multilocularis ecdysone induced protein 78C 0.0033 0.0241 0.0241
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0336 0.0336
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0017 0.0026 0.0026
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0033 0.0241 0.0241
Echinococcus granulosus GPCR family 2 0.0016 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0258 0.3356 0.3356
Onchocerca volvulus 0.0078 0.086 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.086 0.2611
Brugia malayi ecdysteroid receptor 0.0033 0.0241 0.0731
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.086 0.086
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0033 0.0241 0.0241
Echinococcus multilocularis musashi 0.0027 0.0158 0.0158
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0336 0.0336
Brugia malayi Nuclear hormone receptor-like 1 0.0033 0.0241 0.0731
Echinococcus multilocularis GPCR, family 2 0.0016 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.004 0.0336 0.0336
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0026 0.0026
Echinococcus granulosus intermediate filament protein 0.0027 0.0158 0.0158
Mycobacterium ulcerans hypothetical protein 0.0078 0.086 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.086 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0254 0.3295 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0033 0.0241 0.2798
Loa Loa (eye worm) hypothetical protein 0.0016 0.0003 0.0009
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0003 0.0009
Loa Loa (eye worm) hypothetical protein 0.0017 0.0026 0.0078
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.086 0.5
Brugia malayi intermediate filament protein 0.0027 0.0158 0.0479
Brugia malayi MH2 domain containing protein 0.0017 0.0024 0.0073
Loa Loa (eye worm) beta-lactamase 0.0078 0.086 0.2611
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0033 0.0241 0.0731
Echinococcus multilocularis lamin 0.0027 0.0158 0.0158
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0003 0.0003
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0033 0.0241 0.0241
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0033 0.0241 0.0241
Schistosoma mansoni microtubule-associated protein tau 0.0738 1 1
Entamoeba histolytica hypothetical protein 0.004 0.0336 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0024 0.0024
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0017 0.0026 0.0026
Brugia malayi nuclear hormone receptor 0.0033 0.0241 0.0731
Echinococcus multilocularis lamin dm0 0.0027 0.0158 0.0158
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0033 0.0241 0.0731
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.086 0.086
Schistosoma mansoni intermediate filament proteins 0.0027 0.0158 0.0158

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 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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