Detailed information for compound 1278350

Basic information

Technical information
  • TDR Targets ID: 1278350
  • Name: 2-methanesulfonamido-N-[2-(phenylmethylsulfan yl)ethyl]benzamide
  • MW: 364.482 | Formula: C17H20N2O3S2
  • H donors: 2 H acceptors: 3 LogP: 2.86 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1NS(=O)(=O)C)NCCSCc1ccccc1
  • InChi: 1S/C17H20N2O3S2/c1-24(21,22)19-16-10-6-5-9-15(16)17(20)18-11-12-23-13-14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3,(H,18,20)
  • InChiKey: YWFKWHFIOLVJLK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methanesulfonamido-N-[2-(phenylmethylthio)ethyl]benzamide
  • N-[2-(benzylthio)ethyl]-2-methanesulfonamido-benzamide
  • 2-(methylsulfonylamino)-N-[2-(phenylmethylsulfanyl)ethyl]benzamide
  • MLS000663325
  • ZINC02876895
  • SMR000300887
  • N-[2-(benzylthio)ethyl]-2-[(methylsulfonyl)amino]benzamide

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 geminin 0.0558 0.7031 0.7031
Echinococcus granulosus lamin dm0 0.0057 0.0577 0.0821
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0335 0.0677
Loa Loa (eye worm) hypothetical protein 0.0056 0.0564 0.1255
Schistosoma mansoni intermediate filament proteins 0.0057 0.0577 0.0821
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.0237 0.0451
Echinococcus multilocularis high affinity choline transporter 1 0.0338 0.4199 0.4199
Brugia malayi hypothetical protein 0.0035 0.0295 0.0586
Brugia malayi GH02984p 0.0338 0.4199 0.9621
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0272 0.0531
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0427 0.0427
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0427 0.0608
Schistosoma mansoni hypothetical protein 0.0015 0.0042 0.006
Brugia malayi hypothetical protein 0.0027 0.0191 0.0344
Echinococcus multilocularis musashi 0.0057 0.0577 0.0577
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0137 0.1609 0.3399
Loa Loa (eye worm) hypothetical protein 0.0026 0.0185 0.0343
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0335 0.0344
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0351 0.4363 1
Brugia malayi MH2 domain containing protein 0.0143 0.1682 0.3796
Brugia malayi follicle stimulating hormone receptor 0.0225 0.2746 0.6258
Brugia malayi intermediate filament protein 0.0057 0.0577 0.1239
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0137 0.1609 0.2288
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0351 0.4363 1
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0351 0.4363 1
Schistosoma mansoni inositol transporter 0.0037 0.0325 0.0462
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0042 0.006
Echinococcus granulosus intermediate filament protein 0.0057 0.0577 0.0821
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0057 0.058 0.0933
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0037 0.0325 0.0462
Echinococcus granulosus mitogen activated protein kinase 3 0.0057 0.058 0.0825
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0237 0.0469
Toxoplasma gondii exonuclease III APE 0.0038 0.0335 0.0344
Loa Loa (eye worm) hypothetical protein 0.0338 0.4199 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0427 0.0608
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0335 0.03
Schistosoma mansoni hypothetical protein 0.0558 0.7031 1
Echinococcus granulosus solute carrier family 5 0.0037 0.0325 0.0462
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0295 0.042
Schistosoma mansoni hypothetical protein 0.0558 0.7031 1
Schistosoma mansoni ap endonuclease 0.0038 0.0335 0.0476
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0057 0.058 0.1294
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0469 0.0988
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0042 0.006
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0295 0.042
Schistosoma mansoni lamin 0.0057 0.0577 0.0821
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0137 0.1609 1
Echinococcus granulosus mitogen activated protein kinase 0.0057 0.058 0.0825
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0137 0.1609 0.2288
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0427 0.0427
Schistosoma mansoni hypothetical protein 0.0015 0.0042 0.006
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0351 0.4363 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0335 0.0344
Schistosoma mansoni dihydroorotate dehydrogenase 0.0351 0.4363 0.6205
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0618 0.1024
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0057 0.058 0.0933
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0037 0.0325 0.0325
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0618 0.0704
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0335 0.0344
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0469 0.1027
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.058 0.1926
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0335 0.0476
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0137 0.1609 1
Echinococcus granulosus sodium:glucose cotransporter 0.0037 0.0325 0.0462
Schistosoma mansoni hypothetical protein 0.0015 0.0042 0.006
Loa Loa (eye worm) hypothetical protein 0.0057 0.0577 0.1288
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0618 0.0879
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0351 0.4363 1
Plasmodium falciparum dihydroorotate dehydrogenase 0.0351 0.4363 1
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.058 0.1926
Loa Loa (eye worm) hypothetical protein 0.0026 0.0185 0.0343
Schistosoma mansoni inositol transporter 0.0037 0.0325 0.0462
Onchocerca volvulus 0.0057 0.0577 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0057 0.058 0.0933
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0351 0.4363 1
Echinococcus multilocularis GPCR, family 2 0.0015 0.0042 0.0042
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0335 0.0344
Brugia malayi Intermediate filament tail domain containing protein 0.0057 0.0577 0.1239
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.058 0.0825
Schistosoma mansoni ap endonuclease 0.0038 0.0335 0.0476
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0037 0.0325 0.0325
Echinococcus multilocularis mitogen activated protein kinase 3 0.0057 0.058 0.058
Loa Loa (eye worm) transcription factor SMAD2 0.0143 0.1682 0.3946
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0137 0.1609 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0618 0.0879
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0351 0.4363 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0137 0.1609 0.1609
Echinococcus granulosus sodium:glucose cotransporter 2 0.0037 0.0325 0.0462
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0057 0.058 0.0933
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0225 0.2746 0.6505
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.058 0.1926
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0335 0.0344
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0427 0.0608
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0351 0.4363 1
Echinococcus multilocularis lamin dm0 0.0057 0.0577 0.0577
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0057 0.058 0.0933
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0295 0.0295
Schistosoma mansoni lamin 0.0057 0.0577 0.0821
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0137 0.1609 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.0198 0.0198
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0351 0.4363 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0335 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0335 0.0703
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0618 0.0704
Loa Loa (eye worm) hypothetical protein 0.0048 0.0469 0.1027
Schistosoma mansoni hypothetical protein 0.0035 0.0295 0.042
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0335 0.0335
Schistosoma mansoni sodium/solute symporter 0.0037 0.0325 0.0462
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0137 0.1609 1
Brugia malayi Sodium:solute symporter family protein 0.0037 0.0325 0.0654
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0618 0.0704
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0469 0.0988
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0351 0.4363 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0272 0.0552
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.058 0.0933
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0027 0.0191 0.0358
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0335 0.0344
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0618 0.0704
Schistosoma mansoni hypothetical protein 0.0033 0.0272 0.0386
Leishmania major dihydroorotate dehydrogenase 0.0351 0.4363 1
Echinococcus granulosus sodium:myo inositol cotransporter 0.0037 0.0325 0.0462
Echinococcus multilocularis solute carrier family 5 0.0037 0.0325 0.0325
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.058 0.0933
Brugia malayi Zinc finger, C2H2 type family protein 0.0137 0.1609 0.3626
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0618 0.0618
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0427 0.0608
Loa Loa (eye worm) MH2 domain-containing protein 0.0143 0.1682 0.3946
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0037 0.0325 0.0325
Onchocerca volvulus 0.0057 0.0577 1
Schistosoma mansoni hypothetical protein 0.0015 0.0042 0.006
Brugia malayi MAP kinase sur-1 0.0057 0.058 0.1245
Trypanosoma brucei protein kinase, putative 0.0057 0.058 0.0933
Echinococcus granulosus high affinity choline transporter 1 0.0338 0.4199 0.5972
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0427 0.0891
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0057 0.0577 0.1288
Schistosoma mansoni hypothetical protein 0.0058 0.0591 0.0841
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0427 0.0927
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0137 0.1609 1
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0351 0.4363 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0198 0.0375
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0037 0.0325 0.0321
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0427 0.0608
Echinococcus multilocularis mitogen activated protein kinase 0.0057 0.058 0.058
Echinococcus multilocularis lamin 0.0057 0.0577 0.0577
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.0198 0.0282
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0618 0.1024
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0618 0.0879
Loa Loa (eye worm) intermediate filament protein 0.0057 0.0577 0.1288
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0057 0.058 0.0933
Echinococcus granulosus lamin 0.0057 0.0577 0.0821
Echinococcus granulosus GPCR family 2 0.0015 0.0042 0.006
Echinococcus granulosus geminin 0.0558 0.7031 1
Brugia malayi hypothetical protein 0.0017 0.0068 0.006
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0042 0.0042
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0351 0.4363 1
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.058 0.1926
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0137 0.1609 1
Schistosoma mansoni high-affinity choline transporter 0.0338 0.4199 0.5972
Loa Loa (eye worm) hypothetical protein 0.0037 0.0325 0.068
Giardia lamblia Kinase, CMGC MAPK 0.0057 0.058 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0137 0.1609 0.1609

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.037 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.2213 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 (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] 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
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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