Detailed information for compound 1443798

Basic information

Technical information
  • TDR Targets ID: 1443798
  • Name: 2-phenyl-N-(2-phenylsulfanylphenyl)acetamide
  • MW: 319.42 | Formula: C20H17NOS
  • H donors: 1 H acceptors: 1 LogP: 4.76 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1Sc1ccccc1)Cc1ccccc1
  • InChi: 1S/C20H17NOS/c22-20(15-16-9-3-1-4-10-16)21-18-13-7-8-14-19(18)23-17-11-5-2-6-12-17/h1-14H,15H2,(H,21,22)
  • InChiKey: KOFSSDQVCBBJDO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-phenyl-N-[2-(phenylthio)phenyl]acetamide
  • 2-phenyl-N-(2-phenylsulfanylphenyl)ethanamide
  • MLS000581255
  • SMR000199869
  • ZINC00479840
  • AH-487/42541151

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0054 0.4341 0.8688
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.4341 0.8688
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.6464 0.6346
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.5411 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0257 0.5
Echinococcus multilocularis cpg binding protein 0.0037 0.2823 0.2582
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0054 0.4341 0.5
Loa Loa (eye worm) carbonic anhydrase 3 0.0054 0.4341 0.4035
Schistosoma mansoni hypothetical protein 0.0041 0.3223 0.3223
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0054 0.4341 0.4341
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.9652 0.964
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.5
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 1 1
Schistosoma mansoni transient receptor potential channel 4 0.0117 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.3441 0.3221
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.2823 0.2582
Loa Loa (eye worm) hypothetical protein 0.0019 0.1254 0.0781
Loa Loa (eye worm) hypothetical protein 0.0117 1 1
Echinococcus granulosus carbonic anhydrase 0.0054 0.4341 0.4151
Trichomonas vaginalis helicase, putative 0.0008 0.0257 0.5
Echinococcus granulosus carbonic anhydrase 0.0054 0.4341 0.4151
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0324 0.0324
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0054 0.4341 0.8688
Echinococcus granulosus carbonic anhydrase II 0.0054 0.4341 0.4151
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0054 0.4341 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.5
Schistosoma mansoni transient receptor potential channel 0.0078 0.6464 0.6464
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.4341 0.4341
Plasmodium falciparum carbonic anhydrase 0.0054 0.4341 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.2823 0.2823
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.492 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Brugia malayi Transient-receptor-potential like protein 0.0044 0.3441 0.6652
Loa Loa (eye worm) hypothetical protein 0.0044 0.3441 0.3086
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1254 0.0781
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.1254 0.0961
Trypanosoma brucei carbonic anhydrase-like protein 0.0054 0.4341 0.5
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.6464 0.6346
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.4341 0.8688
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0054 0.4341 0.4035
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.4341 0.4341
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.492 0.4646
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0257 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.4341 0.8688
Schistosoma mansoni hypothetical protein 0.0019 0.1254 0.1254
Schistosoma mansoni transient receptor potential channel 0.0078 0.6464 0.6464
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0054 0.4341 0.4341
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.3223 0.616
Brugia malayi CXXC zinc finger family protein 0.0035 0.2647 0.4856
Onchocerca volvulus 0.0035 0.2647 0.5
Echinococcus multilocularis carbonic anhydrase 0.0054 0.4341 0.4151
Echinococcus multilocularis carbonic anhydrase II 0.0054 0.4341 0.4151
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.6464 0.6346
Loa Loa (eye worm) hypothetical protein 0.0054 0.4341 0.4035
Loa Loa (eye worm) hypothetical protein 0.006 0.492 0.4646
Schistosoma mansoni hypothetical protein 0.0019 0.1254 0.1254
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.2647 0.2249
Echinococcus multilocularis GPCR, family 2 0.0019 0.1254 0.0961
Schistosoma mansoni hypothetical protein 0.0019 0.1254 0.1254
Schistosoma mansoni hypothetical protein 0.0019 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0041 0.3223 0.2857
Schistosoma mansoni transient receptor potential channel 0.0117 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.492 1
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.6464 0.6346
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.1254 0.0961
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.1254 0.1704
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0054 0.4341 0.8688
Loa Loa (eye worm) hypothetical protein 0.0054 0.4341 0.4035
Echinococcus granulosus GPCR family 2 0.0019 0.1254 0.0961
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.1254 0.0961
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.4341 0.4341
Schistosoma mansoni hypothetical protein 0.0054 0.4341 0.4341
Brugia malayi Latrophilin receptor protein 2 0.0019 0.1254 0.1704
Echinococcus multilocularis carbonic anhydrase 0.0054 0.4341 0.4151
Loa Loa (eye worm) hypothetical protein 0.004 0.3093 0.2719
Schistosoma mansoni carbonic anhydrase 0.0054 0.4341 0.4341
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.6116 0.5906
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.9652 0.964
Leishmania major carbonic anhydrase-like protein 0.0054 0.4341 0.5
Echinococcus multilocularis carbonic anhydrase 0.0054 0.4341 0.4151
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0513 0.0195
Loa Loa (eye worm) hypothetical protein 0.0054 0.4341 0.4035
Schistosoma mansoni cpg binding protein 0.0035 0.2647 0.2647
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.1254 0.0961
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Echinococcus granulosus carbonic anhydrase 0.0054 0.4341 0.4151
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.6111 0.6111
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0513 0.0195
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.4341 0.8688
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.2823 0.2823
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0054 0.4341 0.4035
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.3441 0.3221
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 1.884 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that inhibit transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2247, AID2256] ChEMBL. No reference
IC50 (functional) 38.72 uM PUBCHEM_BIOASSAY: SAR Analysis for the identification of selective inhibits of the transient receptor potential cation channel C4 (TRPC4): Automated Electrophysiology. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2256] ChEMBL. No reference
Potency (functional) 0.0586 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) 0.5221 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) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 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) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.