Detailed information for compound 1256231

Basic information

Technical information
  • TDR Targets ID: 1256231
  • Name: methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phe nyl]carbamate
  • MW: 294.303 | Formula: C14H18N2O5
  • H donors: 1 H acceptors: 2 LogP: 0.63 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Nc1ccc(cc1)OCC(=O)N1CCOCC1
  • InChi: 1S/C14H18N2O5/c1-19-14(18)15-11-2-4-12(5-3-11)21-10-13(17)16-6-8-20-9-7-16/h2-5H,6-10H2,1H3,(H,15,18)
  • InChiKey: SAWAPSYINMPERO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl N-[4-(2-morpholino-2-oxo-ethoxy)phenyl]carbamate
  • N-[4-(2-morpholino-2-oxoethoxy)phenyl]carbamic acid methyl ester
  • N-[4-(2-keto-2-morpholino-ethoxy)phenyl]carbamic acid methyl ester
  • methyl N-[4-(2-morpholin-4-yl-2-oxo-ethoxy)phenyl]carbamate
  • ST5427103
  • MLS000666334
  • SMR000271283
  • methyl {4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}carbamate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1759 1
Onchocerca volvulus 0.0043 0 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0 0.5
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0787 0.5578 1
Mycobacterium leprae Probable lipase LipE 0.0043 0 0.5
Onchocerca volvulus 0.0043 0 0.5
Onchocerca volvulus 0.0043 0 0.5
Toxoplasma gondii ABC1 family protein 0.0043 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0043 0 0.5
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.0786 0.5576 0.9996
Mycobacterium ulcerans beta-lactamase 0.0043 0 0.5
Mycobacterium ulcerans lipase LipD 0.0043 0 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0043 0 0.5
Entamoeba histolytica protein kinase, putative 0.0787 0.5578 0.5
Echinococcus granulosus serine:threonine protein kinase Chk2 0.0787 0.5578 1
Schistosoma mansoni serine/threonine protein kinase 0.1376 1 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.0786 0.5576 0.9996
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.1376 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0 0.5
Leishmania major hypothetical protein, conserved 0.0043 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0043 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0 0.5
Mycobacterium leprae conserved hypothetical protein 0.0043 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0787 0.5578 0.5578
Entamoeba histolytica protein kinase, putative 0.0787 0.5578 0.5
Trichomonas vaginalis esterase, putative 0.0043 0 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0 0.5

Activities

Activity type Activity value Assay description Source 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) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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.

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