Detailed information for compound 794385

Basic information

Technical information
  • TDR Targets ID: 794385
  • Name: N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-met hoxy-2,5-dimethylbenzenesulfonamide
  • MW: 386.508 | Formula: C21H26N2O3S
  • H donors: 2 H acceptors: 2 LogP: 4.26 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(C)c(cc1C)S(=O)(=O)NCCc1c(C)[nH]c2c1cc(C)cc2
  • InChi: 1S/C21H26N2O3S/c1-13-6-7-19-18(10-13)17(16(4)23-19)8-9-22-27(24,25)21-12-14(2)20(26-5)11-15(21)3/h6-7,10-12,22-23H,8-9H2,1-5H3
  • InChiKey: KTDNTIQSSBFMET-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-methoxy-2,5-dimethyl-benzenesulfonamide
  • ZINC01072101
  • A2899/0122137
  • Benzenesulfonamide, N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-methoxy-2,5-dimethyl-

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
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.021 0.021
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.072 1 1
Brugia malayi RNA binding protein 0.0125 0.1543 0.1543
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.021 0.021
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1175 0.1175
Echinococcus granulosus vesicular acetylcholine transporter 0.072 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.021 0.021
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.021 0.021
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.1121 0.1121
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0308 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.021 0.021
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1543 0.1543
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0853 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.1121 0.1121
Brugia malayi MH2 domain containing protein 0.0244 0.3237 0.3237
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0357 0.0357
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.1121 0.1121
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0308 0.5
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0357 0.5
Schistosoma mansoni vesicular acetylcholine transporter 0.072 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.1121 0.1121
Brugia malayi Latrophilin receptor protein 2 0.0031 0.021 0.021
Brugia malayi Probable ClpP-like protease 0.0077 0.0853 0.0853
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1543 0.1543
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.0853 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.1784 0.1784
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.072 1 0.5
Echinococcus multilocularis vesicular acetylcholine transporter 0.072 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0357 0.3059
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0478 0.0478
Brugia malayi TAR-binding protein 0.0125 0.1543 0.1543
Schistosoma mansoni hypothetical protein 0.0031 0.021 0.021
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0357 0.5
Echinococcus granulosus GPCR family 2 0.0031 0.021 0.021
Loa Loa (eye worm) hypothetical protein 0.0068 0.0728 0.0728
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0853 1
Loa Loa (eye worm) RNA binding protein 0.0125 0.1543 0.1543
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.1121 0.1121
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1543 0.1543
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1543 0.1543
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.1727 0.1727
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1121 0.1121
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.0853 0.0853
Echinococcus multilocularis tar DNA binding protein 0.0125 0.1543 0.1543
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1121 0.1121
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0728 0.0728
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0357 0.3059
Loa Loa (eye worm) TAR-binding protein 0.0125 0.1543 0.1543
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.0853 0.0853
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0853 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0308 0.2366
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0853 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0244 0.3237 0.3237
Echinococcus multilocularis GPCR, family 2 0.0031 0.021 0.021
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0478 0.5
Echinococcus granulosus tar DNA binding protein 0.0125 0.1543 0.1543
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1543 0.1543
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.1543 0.1543
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0478 0.0478
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.1543 0.1543
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.0853 0.5
Loa Loa (eye worm) acetyltransferase 0.0142 0.1784 0.1784
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1175 0.1175
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.021 0.021
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1175 0.1175
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.1784 0.1784
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0478 0.4744
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0853 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0244 0.3237 0.3237
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.0853 0.0853
Loa Loa (eye worm) hypothetical protein 0.0099 0.1175 0.1175
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.0853 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0853 0.0853
Schistosoma mansoni hypothetical protein 0.0031 0.021 0.021
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1121 0.1121
Schistosoma mansoni hypothetical protein 0.0031 0.021 0.021
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0853 1
Schistosoma mansoni hypothetical protein 0.0031 0.021 0.021
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.021 0.021
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.1784 0.1784
Schistosoma mansoni hypothetical protein 0.0068 0.0728 0.0728
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.1121 0.1121
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0357 0.3059
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0853 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0478 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0853 0.5

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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