Detailed information for compound 1329345

Basic information

Technical information
  • TDR Targets ID: 1329345
  • Name: N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol -2-yl]-3-phenylsulfonylpropanamide
  • MW: 435.474 | Formula: C18H17N3O6S2
  • H donors: 1 H acceptors: 7 LogP: 1.03 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nnc(o1)c1cccc(c1)S(=O)(=O)C)CCS(=O)(=O)c1ccccc1
  • InChi: 1S/C18H17N3O6S2/c1-28(23,24)15-9-5-6-13(12-15)17-20-21-18(27-17)19-16(22)10-11-29(25,26)14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,19,21,22)
  • InChiKey: MYPFOSXYMVLECZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfonyl-propanamide
  • N-[5-(3-mesylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfonyl-propionamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0041 0.1109 0.1109
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.9677 0.9677
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0549 0.1313
Loa Loa (eye worm) hypothetical protein 0.005 0.1864 0.1864
Onchocerca volvulus 0.0141 1 1
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0041 0.1109 0.1109
Brugia malayi jmjC domain containing protein 0.0095 0.5936 0.5936
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0141 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.5936 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.5936 1
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0041 0.1109 0.1868
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0041 0.1109 0.1868
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0041 0.1109 1
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.1022 0.1721
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0549 0.0925
Schistosoma mansoni jumonji domain containing protein 0.0076 0.418 1
Brugia malayi jmjC domain containing protein 0.0035 0.0549 0.0549
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0141 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0549 0.0925
Brugia malayi MH2 domain containing protein 0.0137 0.9677 0.9677
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0141 1 1
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0041 0.1109 0.1109
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0141 1 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0041 0.1109 0.5
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0141 1 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0141 1 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0041 0.1109 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0141 1 0.5
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0141 1 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0141 1 0.5
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0041 0.1109 0.1109
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0141 1 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0041 0.1109 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.2778 0.2778
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0141 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.9677 0.9677
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0041 0.1109 0.5
Echinococcus granulosus jumonji domain containing protein 0.0041 0.1022 0.1721
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0549 0.1313
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0041 0.1109 0.5
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0141 1 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0041 0.1109 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0549 0.0549
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0041 0.1109 0.2652

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3753 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) 13.1154 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) = 22.3872 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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 Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 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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