Detailed information for compound 766949

Basic information

Technical information
  • TDR Targets ID: 766949
  • Name: N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol -3-yl)acetamide
  • MW: 314.359 | Formula: C16H14N2O3S
  • H donors: 1 H acceptors: 2 LogP: 2.74 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)Cn1c(=O)sc2c1cccc2
  • InChi: 1S/C16H14N2O3S/c1-21-12-8-6-11(7-9-12)17-15(19)10-18-13-4-2-3-5-14(13)22-16(18)20/h2-9H,10H2,1H3,(H,17,19)
  • InChiKey: WUTXFUBDYKCQKZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-keto-1,3-benzothiazol-3-yl)-N-(4-methoxyphenyl)acetamide
  • N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)ethanamide
  • MLS000528210
  • SMR000120785
  • STK138019
  • ZINC00203511
  • EU-0082803
  • BAS 06169052
  • N-(4-Methoxy-phenyl)-2-(2-oxo-benzothiazol-3-yl)-acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis nmda type glutamate receptor 0.0476 0.5287 0.5287
Schistosoma mansoni glutamate receptor kainate 0.0204 0.1695 0.1695
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0484 0.5396 0.5396
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0243 0.2205 0.2205
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0243 0.2205 0.2205
Schistosoma mansoni glutamate receptor kainate 0.0204 0.1695 0.1695
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0243 0.2205 0.2205
Loa Loa (eye worm) glutamate receptor 2 0.0204 0.1695 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0243 0.2205 0.2205
Echinococcus multilocularis nmda type glutamate receptor 0.0439 0.4801 0.4801
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0243 0.2205 0.2205
Echinococcus multilocularis glutamate receptor 2 0.0167 0.121 0.121
Echinococcus multilocularis glutamate receptor 2 0.0243 0.2205 0.2205
Echinococcus multilocularis glutamate receptor NMDA 0.0401 0.4291 0.4291
Echinococcus granulosus glutamate receptor NMDA 0.0401 0.4291 0.4291
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0243 0.2205 0.2205
Schistosoma mansoni glutamate receptor NMDA 0.0643 0.7492 0.7492
Brugia malayi Glutamate receptor 2 precursor 0.0204 0.1695 1
Schistosoma mansoni glutamate receptor AMPA 0.0204 0.1695 0.1695
Schistosoma mansoni glutamate receptor kainate 0.0204 0.1695 0.1695
Echinococcus granulosus glutamate NMDA receptor subunit 0.0484 0.5396 0.5396
Echinococcus granulosus glutamate receptor 2 0.0167 0.121 0.121
Loa Loa (eye worm) glutamate receptor 1 0.0204 0.1695 1
Brugia malayi Glutamate receptor 1 precursor 0.0204 0.1695 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.267 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0476 0.5287 0.5287
Schistosoma mansoni ATP-binding cassette transporter 0.0204 0.1695 0.1695
Echinococcus granulosus glutamate receptor 2 0.0243 0.2205 0.2205
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0243 0.2205 0.2205
Echinococcus granulosus nmda type glutamate receptor 0.0439 0.4801 0.4801
Schistosoma mansoni glutamate receptor AMPA 0.0204 0.1695 0.1695
Schistosoma mansoni glutamate receptor NMDA 0.0484 0.5396 0.5396
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0243 0.2205 0.2205
Echinococcus multilocularis glutamate receptor 2 0.0204 0.1695 0.1695

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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