Detailed information for compound 1432368

Basic information

Technical information
  • TDR Targets ID: 1432368
  • Name: N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-2-ph enylacetamide
  • MW: 338.443 | Formula: C21H26N2O2
  • H donors: 1 H acceptors: 1 LogP: 2.76 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(C(c1ccccc1)N1CCOCC1)C)Cc1ccccc1
  • InChi: 1S/C21H26N2O2/c1-17(22-20(24)16-18-8-4-2-5-9-18)21(19-10-6-3-7-11-19)23-12-14-25-15-13-23/h2-11,17,21H,12-16H2,1H3,(H,22,24)
  • InChiKey: ZHGGTOXIIIHNMV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1-methyl-2-morpholino-2-phenyl-ethyl)-2-phenyl-acetamide
  • N-(1-methyl-2-morpholino-2-phenylethyl)-2-phenylacetamide
  • N-(1-morpholin-4-yl-1-phenyl-propan-2-yl)-2-phenyl-ethanamide
  • T0504-8956
  • MLS001018524
  • SMR000354754

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
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
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0205 0.3449 0.4583
Loa Loa (eye worm) hypothetical protein 0.0033 0.0279 0.0482
Schistosoma mansoni hypothetical protein 0.0408 0.7197 1
Echinococcus multilocularis smoothened 0.0338 0.5911 0.5793
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.4797 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.2482 0.4293
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.048 0.5
Echinococcus granulosus geminin 0.0205 0.3449 0.3261
Loa Loa (eye worm) hypothetical protein 0.0043 0.048 0.083
Loa Loa (eye worm) hypothetical protein 0.0043 0.048 0.083
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0279 0.0482
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.048 0.5
Plasmodium vivax hypothetical protein, conserved 0.0043 0.048 0.5
Mycobacterium leprae conserved hypothetical protein 0.0043 0.048 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.048 0.5
Loa Loa (eye worm) hypothetical protein 0.0331 0.5782 1
Brugia malayi Hint module family protein 0.0152 0.2482 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.048 0.0207
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.048 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.048 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.048 0.083
Brugia malayi beta-lactamase 0.0043 0.048 0.1933
Loa Loa (eye worm) hypothetical protein 0.0032 0.0268 0.0463
Loa Loa (eye worm) beta-lactamase 0.0043 0.048 0.083
Brugia malayi beta-lactamase family protein 0.0043 0.048 0.1933
Echinococcus multilocularis hedgehog 0.056 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.048 0.1933
Echinococcus granulosus smoothened 0.0338 0.5911 0.5793
Brugia malayi intermediate filament protein 0.0033 0.0279 0.1122
Onchocerca volvulus 0.0043 0.048 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.048 0.5
Onchocerca volvulus 0.0043 0.048 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.048 0.0291
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.048 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.048 0.5
Onchocerca volvulus 0.0043 0.048 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.048 0.083
Brugia malayi beta-lactamase family protein 0.0043 0.048 0.1933
Loa Loa (eye worm) hypothetical protein 0.0043 0.048 0.083
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.048 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.3449 0.4583
Mycobacterium ulcerans lipase LipD 0.0043 0.048 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.048 0.0291
Loa Loa (eye worm) hypothetical protein 0.0043 0.048 0.083
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0279 0.0482
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.048 0.0207
Trichomonas vaginalis esterase, putative 0.0043 0.048 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.048 0.083
Mycobacterium ulcerans hypothetical protein 0.0043 0.048 0.5
Echinococcus multilocularis geminin 0.0205 0.3449 0.3261
Loa Loa (eye worm) hypothetical protein 0.0152 0.2482 0.4293
Mycobacterium ulcerans beta-lactamase 0.0043 0.048 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.048 0.5
Toxoplasma gondii ABC1 family protein 0.0043 0.048 0.5
Brugia malayi Hint module family protein 0.0152 0.2482 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0279 0.1122
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.048 0.5
Leishmania major hypothetical protein, conserved 0.0043 0.048 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4611 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (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

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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