Detailed information for compound 725919

Basic information

Technical information
  • TDR Targets ID: 725919
  • Name: 1-acetyl-N-(2-methylsulfanylphenyl)piperidine -4-carboxamide
  • MW: 292.397 | Formula: C15H20N2O2S
  • H donors: 1 H acceptors: 2 LogP: 1.56 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ccccc1NC(=O)C1CCN(CC1)C(=O)C
  • InChi: 1S/C15H20N2O2S/c1-11(18)17-9-7-12(8-10-17)15(19)16-13-5-3-4-6-14(13)20-2/h3-6,12H,7-10H2,1-2H3,(H,16,19)
  • InChiKey: UJANYAYGDGROSU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-acetyl-N-[2-(methylthio)phenyl]-4-piperidinecarboxamide
  • 1-acetyl-N-[2-(methylthio)phenyl]isonipecotamide
  • 1-ethanoyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
  • IVK/0014411
  • ZINC06725363

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
Onchocerca volvulus 0.0055 0.0428 0.0231
Schistosoma mansoni hypothetical protein 0.1184 1 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0548 0.4611 1
Echinococcus multilocularis gpi ethanolamine phosphate transferase 1 0.0086 0.0692 0.1463
Onchocerca volvulus 0.0548 0.4611 0.45
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0548 0.4611 1
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.0428 0.0408
Schistosoma mansoni smad 0.0008 0.0032 0.0011
Loa Loa (eye worm) hypothetical protein 0.0548 0.4611 0.4611
Brugia malayi beta-lactamase family protein 0.0076 0.0608 0.0608
Echinococcus multilocularis gpi ethanolamine phosphate transferase 3 0.0086 0.0692 0.1463
Echinococcus multilocularis beta LACTamase domain containing family member 0.0076 0.0608 0.1279
Echinococcus granulosus Endonuclease G 0.0329 0.2755 0.5955
Loa Loa (eye worm) hypothetical protein 0.0548 0.4611 0.4611
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0329 0.2755 1
Leishmania major ethanolamine phosphotransferase, putative 0.0086 0.0692 0.0393
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0076 0.0608 0.0608
Echinococcus granulosus tumor protein p63 0.0377 0.3155 0.6827
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0548 0.4611 1
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.1184 1 1
Brugia malayi endonuclease G, mitochondrial precursor 0.0329 0.2755 0.2755
Onchocerca volvulus GPI ethanolamine phosphate transferase 1 homolog 0.0086 0.0692 0.05
Brugia malayi hypothetical protein 0.0086 0.0692 0.0692
Echinococcus multilocularis dnaJ subfamily B 0.0405 0.3396 0.7352
Brugia malayi Smad1 0.0008 0.0032 0.0032
Schistosoma mansoni hypothetical protein 0.0086 0.0692 0.0673
Trypanosoma brucei endonuclease G, putative 0.0329 0.2755 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0548 0.4611 1
Onchocerca volvulus 0.0076 0.0608 0.0414
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0548 0.4611 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0032 0.0024
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0548 0.4611 0.46
Loa Loa (eye worm) hypothetical protein 0.0462 0.388 0.388
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0076 0.0608 0.0588
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.1 0.1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0488 0.4095 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.0202 0.0202
Loa Loa (eye worm) hypothetical protein 0.0055 0.0428 0.0428
Echinococcus multilocularis smad 0.0008 0.0032 0.0024
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0035 0.0035
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0032 0.0032
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0548 0.4611 1
Mycobacterium ulcerans hypothetical protein 0.0086 0.0692 1
Echinococcus multilocularis Alkaline phosphatase, core domain 0.0086 0.0692 0.1463
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0086 0.0692 0.5
Schistosoma mansoni cpg binding protein 0.003 0.0216 0.0195
Loa Loa (eye worm) type I phosphodiesterase/nucleotide pyrophosphatase 0.0086 0.0692 0.0692
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0548 0.4611 1
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0329 0.2755 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0692 0.0692
Onchocerca volvulus 0.0548 0.4611 0.45
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0032 0.0024
Trypanosoma brucei endonuclease G, putative 0.0329 0.2755 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0692 0.0692
Loa Loa (eye worm) hypothetical protein 0.0086 0.0692 0.0692
Trypanosoma cruzi endonuclease G, putative 0.0329 0.2755 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0548 0.4611 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0548 0.4611 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0032 0.0024
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0329 0.2755 1
Onchocerca volvulus Ectonucleotide pyrophosphatase\/phosphodiesterase family member 6 homolog 0.0086 0.0692 0.05
Onchocerca volvulus 0.1184 1 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0462 0.388 0.8407
Trichomonas vaginalis penicillin-binding protein, putative 0.0076 0.0608 1
Brugia malayi hypothetical protein 0.0086 0.0692 0.0692
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0472 0.0453
Plasmodium vivax hypothetical protein, conserved 0.0076 0.0608 0.5
Echinococcus granulosus transferase 0.0086 0.0692 0.1463
Leishmania major endonuclease G, putative 0.0329 0.2755 1
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0035 0.0035
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0086 0.0692 0.1463
Schistosoma mansoni hypothetical protein 0.0086 0.0692 0.0673
Echinococcus granulosus cpg binding protein 0.003 0.0216 0.0425
Echinococcus multilocularis tumor protein p63 0.0377 0.3155 0.6827
Onchocerca volvulus 0.0076 0.0608 0.0414
Schistosoma mansoni cpg binding protein 0.003 0.0216 0.0195
Mycobacterium leprae hypothetical protein 0.0086 0.0692 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0086 0.0692 0.1463
Brugia malayi MH2 domain containing protein 0.0008 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0076 0.0608 0.0608
Echinococcus granulosus ectonucleotide 0.0462 0.388 0.8407
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0548 0.4611 0.46
Loa Loa (eye worm) Smad1 0.0008 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0076 0.0608 0.0608
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.1 0.1
Schistosoma mansoni endonuclease related 0.0329 0.2755 0.274
Loa Loa (eye worm) hypothetical protein 0.0076 0.0608 0.0608
Trichomonas vaginalis D-aminoacylase, putative 0.0076 0.0608 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0032 0.0011
Schistosoma mansoni hypothetical protein 0.0086 0.0692 0.0673
Echinococcus multilocularis transferase 0.0086 0.0692 0.1463
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0035 0.0032
Echinococcus granulosus smad 0.0008 0.0032 0.0024
Brugia malayi MH1 domain containing protein 0.0008 0.0032 0.0032
Onchocerca volvulus Ectonucleotide pyrophosphatase\/phosphodiesterase family member 7 homolog 0.0086 0.0692 0.05
Trypanosoma cruzi endonuclease G, putative 0.0329 0.2755 1
Schistosoma mansoni hypothetical protein 0.0086 0.0692 0.0673
Loa Loa (eye worm) hypothetical protein 0.0076 0.0608 0.0608
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0032 0.0024
Brugia malayi beta-lactamase 0.0076 0.0608 0.0608
Brugia malayi MH1 domain containing protein 0.0008 0.0032 0.0032
Brugia malayi MH2 domain containing protein 0.0123 0.1 0.1
Brugia malayi beta-lactamase family protein 0.0076 0.0608 0.0608
Loa Loa (eye worm) hypothetical protein 0.0548 0.4611 0.4611
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0548 0.4611 0.4611
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0076 0.0608 0.0608
Echinococcus multilocularis Endonuclease G 0.0329 0.2755 0.5955
Loa Loa (eye worm) hypothetical protein 0.0086 0.0692 0.0692
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0086 0.0692 0.1463
Brugia malayi AEL166Cp 0.0086 0.0692 0.0692
Echinococcus granulosus dnaJ subfamily B 0.0405 0.3396 0.7352
Echinococcus granulosus Smad4 0.0008 0.0032 0.0024
Trichomonas vaginalis esterase, putative 0.0076 0.0608 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0032 0.0032
Loa Loa (eye worm) beta-lactamase 0.0076 0.0608 0.0608
Trypanosoma brucei GPI ethanolamine phosphate transferase 3, putative 0.0086 0.0692 0.0393
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0076 0.0608 0.0588
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0329 0.2755 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0035 0.0032
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0548 0.4611 1
Trichomonas vaginalis D-aminoacylase, putative 0.0076 0.0608 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0032 0.0011
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0548 0.4611 0.46
Echinococcus multilocularis cpg binding protein 0.003 0.0216 0.0425
Loa Loa (eye worm) hypothetical protein 0.0076 0.0608 0.0608
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0086 0.0692 0.5
Plasmodium falciparum GPI ethanolamine phosphate transferase 3, putative 0.0086 0.0692 0.5
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0086 0.0692 0.0673
Schistosoma mansoni smad1 5 8 and 0.0008 0.0032 0.0011
Echinococcus multilocularis ectonucleotide 0.0462 0.388 0.8407
Schistosoma mansoni smad1 5 8 and 0.0008 0.0032 0.0011
Echinococcus multilocularis Smad4 0.0008 0.0032 0.0024
Trichomonas vaginalis penicillin-binding protein, putative 0.0076 0.0608 1
Trypanosoma brucei endonuclease G, putative 0.0329 0.2755 1
Schistosoma mansoni cpg binding protein 0.0028 0.0202 0.0182
Brugia malayi MH2 domain containing protein 0.0008 0.0032 0.0032
Trichomonas vaginalis D-aminoacylase, putative 0.0076 0.0608 1
Schistosoma mansoni Smad4 0.0008 0.0032 0.0011
Onchocerca volvulus GPI ethanolamine phosphate transferase 3 homolog 0.0086 0.0692 0.05
Giardia lamblia Phosphatidylinositol-glycan biosynthesis, class O protein 0.0086 0.0692 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0462 0.388 0.8407
Onchocerca volvulus 0.0076 0.0608 0.0414
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0548 0.4611 0.46
Toxoplasma gondii ABC1 family protein 0.0076 0.0608 0.0814
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0202 0.0202
Schistosoma mansoni hypothetical protein 0.0405 0.3396 0.3382
Echinococcus granulosus beta LACTamase domain containing family member 0.0076 0.0608 0.1279
Onchocerca volvulus GPI ethanolamine phosphate transferase 2 homolog 0.0086 0.0692 0.05
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0086 0.0692 0.0692
Loa Loa (eye worm) hypothetical protein 0.0076 0.0608 0.0608
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0548 0.4611 1
Echinococcus granulosus gpi ethanolamine phosphate transferase 3 0.0086 0.0692 0.1463

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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