Detailed information for compound 1413985

Basic information

Technical information
  • TDR Targets ID: 1413985
  • Name: 4-(4-methoxyphenyl)-3-(morpholin-4-ylmethyl)- 1-phenylazetidin-2-one
  • MW: 352.427 | Formula: C21H24N2O3
  • H donors: 0 H acceptors: 1 LogP: 2.19 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1C(CN2CCOCC2)C(=O)N1c1ccccc1
  • InChi: 1S/C21H24N2O3/c1-25-18-9-7-16(8-10-18)20-19(15-22-11-13-26-14-12-22)21(24)23(20)17-5-3-2-4-6-17/h2-10,19-20H,11-15H2,1H3
  • InChiKey: UFRUJQZNYIGQEW-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(4-methoxyphenyl)-3-(morpholinomethyl)-1-phenyl-azetidin-2-one
  • 4-(4-methoxyphenyl)-3-(morpholinomethyl)-1-phenyl-2-azetidinone
  • 4-(4-methoxyphenyl)-3-(morpholin-4-ylmethyl)-1-phenyl-azetidin-2-one
  • SMR000335246
  • Bionet1_003570
  • Oprea1_415566
  • 4-(4-methoxyphenyl)-3-(morpholinomethyl)-1-phenyl-2-azetanone
  • 5N-514S
  • MLS000721061

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
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 mansoni 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 granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 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
Loa Loa (eye worm) hypothetical 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
Loa Loa (eye worm) intermediate filament tail domain-containing 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
Schistosoma mansoni intermediate filament proteins 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
Echinococcus granulosus lamin dm0 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
Onchocerca volvulus 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
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723

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 conserved hypothetical protein 0.0008 0.0525 1
Echinococcus multilocularis lamin 0.0033 0.4088 0.8541
Loa Loa (eye worm) hypothetical protein 0.0015 0.1572 0.1833
Onchocerca volvulus 0.0035 0.4393 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0939 0.0754
Echinococcus granulosus lamin dm0 0.0033 0.4088 0.8541
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.1658 0.2532
Loa Loa (eye worm) intermediate filament protein 0.0033 0.4088 0.9117
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0525 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.1658 0.2082
Brugia malayi CXXC zinc finger family protein 0.0035 0.4393 1
Schistosoma mansoni lamin 0.0033 0.4088 0.4023
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.1908 0.2804
Brugia malayi intermediate filament protein 0.0033 0.4088 0.9122
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0634 0.0531
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Schistosoma mansoni cpg binding protein 0.0037 0.4678 0.4619
Schistosoma mansoni cpg binding protein 0.0035 0.4393 0.4331
Echinococcus multilocularis lamin dm0 0.0033 0.4088 0.8541
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Echinococcus granulosus cpg binding protein 0.0037 0.4678 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.4088 0.9117
Echinococcus granulosus intermediate filament protein 0.0033 0.4088 0.8541
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Echinococcus multilocularis musashi 0.0033 0.4088 0.8541
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Echinococcus granulosus lamin 0.0033 0.4088 0.8541
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Schistosoma mansoni cpg binding protein 0.0037 0.4678 0.4619
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.4393 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0525 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.4088 0.4023
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.8867 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Schistosoma mansoni lamin 0.0033 0.4088 0.4023
Loa Loa (eye worm) hypothetical protein 0.0032 0.4002 0.8868
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.1908 0.2845
Trichomonas vaginalis helicase, putative 0.0008 0.0525 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.1572 0.1833
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0939 0.0754
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.4088 0.9117
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Echinococcus multilocularis cpg binding protein 0.0037 0.4678 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.4088 0.9122
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.1658 0.2532
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.9811 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 Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 89.1251 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

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.