Detailed information for compound 810392

Basic information

Technical information
  • TDR Targets ID: 810392
  • Name: N-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dimethoxy- N-(4-methylphenyl)benzenesulfonamide
  • MW: 446.56 | Formula: C23H30N2O5S
  • H donors: 0 H acceptors: 3 LogP: 3.67 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)S(=O)(=O)N(c1ccc(cc1)C)CC(=O)N1CCCCCC1
  • InChi: 1S/C23H30N2O5S/c1-18-8-10-19(11-9-18)25(17-23(26)24-14-6-4-5-7-15-24)31(27,28)20-12-13-21(29-2)22(16-20)30-3/h8-13,16H,4-7,14-15,17H2,1-3H3
  • InChiKey: PRGIYNXKFJSQIG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(azepan-1-yl)-2-oxo-ethyl]-3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide
  • N-[2-(1-azepanyl)-2-oxoethyl]-3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide
  • N-[2-(azepan-1-yl)-2-keto-ethyl]-3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide
  • Oprea1_010004
  • BIM-0017093.P001
  • CBMicro_017094
  • BAS 00845553
  • N-(2-Azepan-1-yl-2-oxo-ethyl)-3,4-dimethoxy-N-p-tolyl-benzenesulfonamide
  • EU-0039071
  • Oprea1_336610
  • ZINC00678032

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
Brugia malayi serine/threonine kinase 12 0.0254 0.2399 1
Echinococcus granulosus c src tyrosine kinase 0.0016 0.0052 0.0119
Schistosoma mansoni tyrosine kinase 0.0044 0.0331 0.1291
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0254 0.2399 1
Echinococcus multilocularis aurora kinase A 0.0254 0.2399 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0016 0.0052 0.0119
Echinococcus multilocularis thymidylate synthase 0.0139 0.127 0.5248
Echinococcus granulosus tyrosine protein kinase Src64B 0.0044 0.0331 0.1291
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0254 0.2399 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0044 0.0331 0.1291
Brugia malayi serine/threonine protein kinase 6 0.0254 0.2399 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0038 0.0268 0.1026
Schistosoma mansoni serine/threonine protein kinase 0.0254 0.2399 1
Onchocerca volvulus 0.0139 0.127 1
Schistosoma mansoni serine/threonine protein kinase 0.023 0.2159 0.8989
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.0331 0.1291
Brugia malayi Tyrosine-protein kinase abl-1 0.0123 0.1113 0.4584
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0038 0.0268 0.1026
Brugia malayi Tyrosine-protein kinase abl-1 0.0092 0.0805 0.329
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0254 0.2399 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0139 0.127 0.3896
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.023 0.2159 0.7872
Trichomonas vaginalis AGC family protein kinase 0.0254 0.2399 1
Trichomonas vaginalis AGC family protein kinase 0.0254 0.2399 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyX (ts) (TSase) 0.1026 1 1
Trypanosoma cruzi aurora B kinase, putative 0.0254 0.2399 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0044 0.0331 0.1291
Trichomonas vaginalis CMGC family protein kinase 0.023 0.2159 0.8701
Echinococcus multilocularis mitogen activated protein kinase 0.023 0.2159 0.8989
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0016 0.0052 0.0119
Echinococcus granulosus tyrosine protein kinase Src42A 0.0044 0.0331 0.1291
Loa Loa (eye worm) TK protein kinase 0.0038 0.0268 0.1026
Schistosoma mansoni tyrosine kinase 0.0016 0.0052 0.0119
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.0331 0.1291
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0044 0.0331 0.1291
Entamoeba histolytica protein kinase, putative 0.0031 0.0203 0.084
Loa Loa (eye worm) TK/ABL protein kinase 0.0209 0.1959 0.8147
Trichomonas vaginalis CMGC family protein kinase 0.023 0.2159 0.8701
Trichomonas vaginalis CMGC family protein kinase 0.023 0.2159 0.8701
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0254 0.2399 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.023 0.2159 0.8701
Trichomonas vaginalis AGC family protein kinase 0.0254 0.2399 1
Schistosoma mansoni tyrosine kinase 0.0016 0.0052 0.0119
Leishmania major protein kinase, putative 0.0254 0.2399 1
Brugia malayi hypothetical protein 0.0066 0.055 0.2214
Toxoplasma gondii aurora kinase 0.0254 0.2399 1
Loa Loa (eye worm) SRC-1 0.0044 0.0331 0.1291
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.023 0.2159 0.8701
Echinococcus multilocularis tyrosine protein kinase Blk 0.0038 0.0268 0.1026
Brugia malayi SRC-1 0.0044 0.0331 0.1291
Echinococcus granulosus tyrosine protein kinase ABL1 0.0209 0.1959 0.8147
Echinococcus granulosus tyrosine protein kinase Src42A 0.0035 0.0239 0.0907
Loa Loa (eye worm) AUR protein kinase 0.0254 0.2399 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0209 0.1959 0.8147
Echinococcus granulosus thymidylate synthase 0.0139 0.127 0.5248
Mycobacterium ulcerans FAD-dependent thymidylate synthase 0.1026 1 1
Schistosoma mansoni tyrosine kinase 0.0203 0.1894 0.7874
Loa Loa (eye worm) TK protein kinase 0.0031 0.0203 0.0753
Schistosoma mansoni tyrosine kinase 0.0044 0.0331 0.1291
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.0331 0.1291
Echinococcus multilocularis tyrosine protein kinase Abl 0.0092 0.0805 0.329
Entamoeba histolytica protein kinase domain containing protein 0.0254 0.2399 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0048 0.0371 0.1462
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.0331 0.1291
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.023 0.2159 0.7872
Echinococcus multilocularis mitogen activated protein kinase 3 0.023 0.2159 0.8989
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0044 0.0331 0.1291
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0016 0.0052 0.0119
Entamoeba histolytica protein kinase , putative 0.0254 0.2399 1
Schistosoma mansoni protein kinase 0.0254 0.2399 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.023 0.2159 0.8701
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.023 0.2159 0.8701
Trichomonas vaginalis CMGC family protein kinase 0.023 0.2159 0.8701
Echinococcus granulosus tyrosine protein kinase Blk 0.0038 0.0268 0.1026
Brugia malayi thymidylate synthase 0.0139 0.127 0.5248
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0139 0.127 0.5248
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.023 0.2159 0.7872
Trichomonas vaginalis AGC family protein kinase 0.0254 0.2399 1
Entamoeba histolytica protein kinase, putative 0.0254 0.2399 1
Trypanosoma brucei aurora B kinase 0.0254 0.2399 1
Echinococcus granulosus aurora kinase A 0.0254 0.2399 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0254 0.2399 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0035 0.0239 0.0907
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0044 0.0331 0.1291
Brugia malayi MAP kinase sur-1 0.023 0.2159 0.8989
Trypanosoma brucei protein kinase, putative 0.023 0.2159 0.7872
Loa Loa (eye worm) AUR protein kinase 0.0254 0.2399 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.0331 0.1291
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.023 0.2159 0.8989
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0254 0.2399 1
Echinococcus granulosus mitogen activated protein kinase 0.023 0.2159 0.8989
Echinococcus granulosus tyrosine protein kinase HCK 0.0031 0.0203 0.0753
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0044 0.0331 0.1291
Echinococcus granulosus mitogen activated protein kinase 3 0.023 0.2159 0.8989
Plasmodium falciparum serine/threonine protein kinase, putative 0.0254 0.2399 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0044 0.0331 0.1291
Echinococcus multilocularis c src tyrosine kinase 0.0016 0.0052 0.0119
Echinococcus multilocularis tyrosine protein kinase HCK 0.0031 0.0203 0.0753
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0044 0.0331 0.1291
Giardia lamblia Aurora kinase 0.0254 0.2399 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.0268 0.1026
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0139 0.127 0.0762
Brugia malayi serine/threonine-protein kinase 6 0.0254 0.2399 1
Loa Loa (eye worm) thymidylate synthase 0.0139 0.127 0.5248
Entamoeba histolytica protein kinase, putative 0.0254 0.2399 1
Brugia malayi protein-tyrosine kinase 0.0038 0.0268 0.1026
Echinococcus granulosus tyrosine kinase 0.0038 0.0268 0.1026
Loa Loa (eye worm) hypothetical protein 0.0079 0.0678 0.2752
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.023 0.2159 0.7872
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.0331 0.1291
Loa Loa (eye worm) AUR protein kinase 0.0254 0.2399 1

Activities

No activities found for this compound.

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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