Detailed information for compound 1401644

Basic information

Technical information
  • TDR Targets ID: 1401644
  • Name: 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methyla mino]-N-(pyridin-3-ylmethyl)acetamide
  • MW: 383.85 | Formula: C16H18ClN3O4S
  • H donors: 1 H acceptors: 4 LogP: 1.44 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1Cl)S(=O)(=O)N(CC(=O)NCc1cccnc1)C
  • InChi: 1S/C16H18ClN3O4S/c1-20(11-16(21)19-10-12-4-3-7-18-9-12)25(22,23)13-5-6-15(24-2)14(17)8-13/h3-9H,10-11H2,1-2H3,(H,19,21)
  • InChiKey: DZYQTPSJIOMWOB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(3-chloro-4-methoxy-phenyl)sulfonyl-methyl-amino]-N-(3-pyridylmethyl)acetamide
  • 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(3-pyridylmethyl)acetamide
  • 2-[(3-chloro-4-methoxy-phenyl)sulfonyl-methyl-amino]-N-(pyridin-3-ylmethyl)ethanamide
  • MLS000531474
  • N~2~-[(3-chloro-4-methoxyphenyl)sulfonyl]-N~2~-methyl-N~1~-(3-pyridinylmethyl)glycinamide
  • SMR000136452
  • STK318335

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) Smad1 0.0009 0.009 0.0082
Echinococcus granulosus ETS transcription factor Elf 2 0.0033 0.0614 0.0605
Loa Loa (eye worm) hypothetical protein 0.0129 0.2683 0.2677
Echinococcus multilocularis ETS transcription factor Elf 2 0.0033 0.0614 0.0605
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.033 0.5
Echinococcus multilocularis Smad4 0.0009 0.009 0.0025
Echinococcus multilocularis cpg binding protein 0.0032 0.059 0.0578
Echinococcus granulosus cpg binding protein 0.0032 0.059 0.0578
Echinococcus multilocularis protein C ets 2 0.0033 0.0614 0.0605
Brugia malayi MH2 domain containing protein 0.0009 0.009 0.0082
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.033 0.5
Brugia malayi MH2 domain containing protein 0.0009 0.009 0.0082
Schistosoma mansoni ets 0.0033 0.0614 0.0614
Schistosoma mansoni gabp alpha 0.0162 0.339 0.339
Echinococcus multilocularis smad 0.0009 0.009 0.0025
Schistosoma mansoni cpg binding protein 0.0032 0.059 0.059
Schistosoma mansoni smad1 5 8 and 0.0009 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0033 0.0614 0.0606
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0068 0.0068
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.033 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0107 0.0044
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.009 0.0025
Echinococcus multilocularis ETS transcription factor Elf 1 0.0033 0.0614 0.0605
Schistosoma mansoni ets-related 0.0033 0.0614 0.0614
Echinococcus granulosus geminin 0.0178 0.3716 0.4039
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.033 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.033 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0614 0.0606
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.259 0.2584
Brugia malayi Ets-domain containing protein 0.0162 0.339 0.3384
Loa Loa (eye worm) D-ets-2 protein 0.0033 0.0614 0.0606
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.033 0.029
Loa Loa (eye worm) ets-domain-containing protein 0.0033 0.0614 0.0606
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.033 0.5
Brugia malayi CXXC zinc finger family protein 0.003 0.0553 0.0545
Brugia malayi MH1 domain containing protein 0.0009 0.009 0.0082
Schistosoma mansoni hypothetical protein 0.0033 0.0614 0.0614
Schistosoma mansoni smad1 5 8 and 0.0009 0.009 0.009
Brugia malayi transcription factor E74 isoform 0.0033 0.0614 0.0606
Echinococcus multilocularis GA binding protein alpha chain 0.0162 0.339 0.3678
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.033 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.033 0.5
Echinococcus granulosus ETS transcription factor Elf 1 0.0033 0.0614 0.0605
Echinococcus granulosus smad 0.0009 0.009 0.0025
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0033 0.0614 0.0614
Trichomonas vaginalis ap endonuclease, putative 0.002 0.033 1
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0033 0.0614 0.0605
Schistosoma mansoni ap endonuclease 0.002 0.033 0.033
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0162 0.339 0.3384
Trichomonas vaginalis ap endonuclease, putative 0.002 0.033 1
Schistosoma mansoni ap endonuclease 0.002 0.033 0.033
Schistosoma mansoni hypothetical protein 0.0178 0.3716 0.3716
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.1276 0.1276
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.033 0.029
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.033 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.033 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.009 0.0025
Echinococcus granulosus ETS transcription factor Elf 5 0.0033 0.0614 0.0605
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.009 0.0082
Schistosoma mansoni elf1 0.0033 0.0614 0.0614
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0033 0.0614 0.0606
Schistosoma mansoni cpg binding protein 0.0032 0.059 0.059
Echinococcus multilocularis geminin 0.0178 0.3716 0.4039
Brugia malayi Smad1 0.0009 0.009 0.0082
Brugia malayi Ets-domain containing protein 0.0033 0.0614 0.0606
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0107 0.0044
Echinococcus granulosus ETS transcription factor Elf 2 0.0033 0.0614 0.0605
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.033 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.033 0.0322
Echinococcus granulosus dnaJ subfamily B 0.0429 0.91 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.009 0.0082
Echinococcus multilocularis ets variant gene 4 0.0033 0.0614 0.0605
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.259 0.2584
Echinococcus multilocularis ETS transcription factor Elf 5 0.0033 0.0614 0.0605
Echinococcus granulosus ewsr:fli fusion protein type 0.0033 0.0614 0.0605
Echinococcus granulosus protein C ets 2 0.0033 0.0614 0.0605
Echinococcus granulosus GA binding protein alpha chain 0.0162 0.339 0.3678
Brugia malayi DNA-binding protein D-ETS-3 0.0033 0.0614 0.0606
Echinococcus granulosus Smad4 0.0009 0.009 0.0025
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0553 0.0545
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0105 0.0096
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.113 1
Onchocerca volvulus 0.003 0.0553 0.5
Brugia malayi MH1 domain containing protein 0.0009 0.009 0.0082
Echinococcus granulosus ETS domain containing protein Elk 1 0.0033 0.0614 0.0605
Schistosoma mansoni smad 0.0009 0.009 0.009
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.033 0.0322
Echinococcus multilocularis ewsr:fli fusion protein type 0.0033 0.0614 0.0605
Schistosoma mansoni hypothetical protein 0.0033 0.0614 0.0614
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.033 0.5
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.009 0.0025
Brugia malayi Ets-domain containing protein 0.0162 0.339 0.3384
Brugia malayi MH2 domain containing protein 0.0125 0.259 0.2584
Schistosoma mansoni smad1 5 8 and 0.0009 0.009 0.009
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.009 0.009
Echinococcus multilocularis ETS transcription factor Elf 2 0.0033 0.0614 0.0605
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0033 0.0614 0.0606
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0107 0.0099
Echinococcus multilocularis dnaJ subfamily B 0.0429 0.91 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.009 0.0025
Schistosoma mansoni cpg binding protein 0.003 0.0553 0.0553
Schistosoma mansoni hypothetical protein 0.0429 0.91 0.91
Schistosoma mansoni hypothetical protein 0.0178 0.3716 0.3716
Schistosoma mansoni Smad4 0.0009 0.009 0.009

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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