Detailed information for compound 713545

Basic information

Technical information
  • TDR Targets ID: 713545
  • Name: N-methyl-2-methylsulfanyl-N-(phenylmethyl)ben zamide
  • MW: 271.377 | Formula: C16H17NOS
  • H donors: 0 H acceptors: 1 LogP: 3.39 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ccccc1C(=O)N(Cc1ccccc1)C
  • InChi: 1S/C16H17NOS/c1-17(12-13-8-4-3-5-9-13)16(18)14-10-6-7-11-15(14)19-2/h3-11H,12H2,1-2H3
  • InChiKey: XSERSDJJABDAPS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-methyl-2-(methylthio)-N-(phenylmethyl)benzamide
  • N-(benzyl)-N-methyl-2-(methylthio)benzamide
  • MLS000675673
  • N-benzyl-N-methyl-2-(methylthio)benzamide
  • SMR000295124
  • ZINC01116573

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
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0264 0.0264
Entamoeba histolytica hypothetical protein 0.0043 0.0257 0.9728
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0264 0.0264
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0264 0.0264
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0291 0.0291
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0291 0.0532
Schistosoma mansoni alpha-glucosidase 0.0169 0.4536 0.4536
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0264 0.0264
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0264 0.0264
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.5467 1
Schistosoma mansoni thyroid hormone receptor 0.015 0.3885 0.3885
Entamoeba histolytica hypothetical protein 0.0043 0.0257 0.9728
Trichomonas vaginalis glutaminase, putative 0.033 1 1
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0264 1
Entamoeba histolytica hypothetical protein 0.0043 0.0257 0.9728
Entamoeba histolytica hypothetical protein 0.0043 0.0257 0.9728
Trypanosoma brucei glucosidase, putative 0.0044 0.0264 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.5467 0.5467
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.5467 0.5467
Mycobacterium ulcerans glutaminase 0.033 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0291 0.0532
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0291 0.0532
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0291 0.0532
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.5467 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0257 0.047
Echinococcus multilocularis thyroid hormone receptor alpha 0.015 0.3885 0.7107
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0129 0.3179 0.5815
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0264 0.0264
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0264 0.0264
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0291 0.0291
Loa Loa (eye worm) glutaminase 2 0.033 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0291 0.0291
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0129 0.3179 0.5815
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0264 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0264 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.4536 0.4536
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0264 0.0264
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0291 0.0291
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0264 0.0264
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0257 0.047
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0 0.5
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0264 0.0483
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0264 0.0483
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0264 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0264 0.0264
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0264 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0264 0.0264
Schistosoma mansoni hypothetical protein 0.0129 0.3179 0.3179
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0291 0.0291
Schistosoma mansoni thyroid hormone receptor 0.015 0.3885 0.3885
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0257 0.0257
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0264 1
Schistosoma mansoni glutaminase 0.033 1 1
Schistosoma mansoni alpha glucosidase 0.0044 0.0264 0.0264
Schistosoma mansoni hypothetical protein 0.0043 0.0257 0.0257
Loa Loa (eye worm) glutaminase 0.033 1 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.5467 1
Brugia malayi hypothetical protein 0.0043 0.0257 0.0257
Onchocerca volvulus 0.0114 0.2648 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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