Detailed information for compound 1398795

Basic information

Technical information
  • TDR Targets ID: 1398795
  • Name: N-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3 ,4-oxadiazol-2-yl]sulfanyl]acetamide
  • MW: 363.794 | Formula: C16H11ClFN3O2S
  • H donors: 1 H acceptors: 3 LogP: 3.89 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1Cl)CSc1nnc(o1)c1ccccc1F
  • InChi: 1S/C16H11ClFN3O2S/c17-11-6-2-4-8-13(11)19-14(22)9-24-16-21-20-15(23-16)10-5-1-3-7-12(10)18/h1-8H,9H2,(H,19,22)
  • InChiKey: WCBLJWOQOIZDDY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
  • N-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide
  • D344-8614
  • NCGC00119132-01
  • ZINC04987489

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Mycobacterium tuberculosis Divalent cation-transport integral membrane protein MntH (BRAMP) (MRAMP) 0.0177 0.3931 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0426 0.0626
Brugia malayi NRAMP-like transporter K11G12.4 0.0286 0.6801 1
Mycobacterium ulcerans manganese transport protein MntH 0.0286 0.6801 1
Brugia malayi Bromodomain containing protein 0.0046 0.05 0.0631
Loa Loa (eye worm) hypothetical protein 0.0286 0.6801 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0426 0.0426
Schistosoma mansoni divalent metal transporter DMT1B 0.0286 0.6801 1
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0853 0.1255
Plasmodium vivax metal transporter, putative 0.0286 0.6801 0.5
Schistosoma mansoni divalent metal transporter DMT1B 0.0286 0.6801 1
Echinococcus multilocularis divalent metal transporter DMT1B 0.0286 0.6801 0.6801
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1178 0.1178
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0425 0.0425
Brugia malayi hypothetical protein 0.0043 0.0426 0.0522
Schistosoma mansoni bromodomain containing protein 0.0076 0.1292 0.1899
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0425 0.0425
Loa Loa (eye worm) hypothetical protein 0.0286 0.6801 1
Brugia malayi Bromodomain containing protein 0.0091 0.1663 0.2361
Onchocerca volvulus Protein Malvolio homolog 0.0286 0.6801 1
Entamoeba histolytica hypothetical protein 0.0043 0.0426 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0638 0.0215
Mycobacterium leprae DIVALENT CATION-TRANSPORT INTEGRAL MEMBRANE PROTEIN MNTH (BRAMP) (MRAMP) 0.0177 0.3931 1
Entamoeba histolytica hypothetical protein 0.0043 0.0426 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0577 0.0119
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0426 0.0426
Entamoeba histolytica hypothetical protein 0.0043 0.0426 0.5
Toxoplasma gondii divalent metal transporter, putative 0.0286 0.6801 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0426 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1178 0.1178
Loa Loa (eye worm) hypothetical protein 0.006 0.0853 0.0558
Plasmodium falciparum transporter, putative 0.0286 0.6801 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.0426 0.0626
Loa Loa (eye worm) hypothetical protein 0.0085 0.1528 0.1629
Echinococcus granulosus divalent metal transporter DMT1B 0.0286 0.6801 0.6801

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 5.8048 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 89.1251 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
Homo sapiens 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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