Detailed information for compound 1408019

Basic information

Technical information
  • TDR Targets ID: 1408019
  • Name: 4-(1,3-dioxoisoindol-2-yl)-N-(3-morpholin-4-y lpropyl)butanamide
  • MW: 359.42 | Formula: C19H25N3O4
  • H donors: 1 H acceptors: 3 LogP: 0.53 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCCCN1CCOCC1)CCCN1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C19H25N3O4/c23-17(20-8-4-9-21-11-13-26-14-12-21)7-3-10-22-18(24)15-5-1-2-6-16(15)19(22)25/h1-2,5-6H,3-4,7-14H2,(H,20,23)
  • InChiKey: RWCZFGWKERTELN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(1,3-dioxoisoindolin-2-yl)-N-(3-morpholinopropyl)butanamide
  • 4-(1,3-dioxo-2-isoindolinyl)-N-(3-morpholinopropyl)butanamide
  • 4-(1,3-diketoisoindolin-2-yl)-N-(3-morpholinopropyl)butyramide
  • 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[3-(4-morpholinyl)propyl]butanamide
  • MLS000050480
  • SMR000076392
  • STK215491

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 neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
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
Toxoplasma gondii histone lysine methyltransferase SET1 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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
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
Loa Loa (eye worm) hypothetical protein 0.026 0.3144 0.3089
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0045 1
Brugia malayi Hexokinase family protein 0.0512 0.6254 0.6225
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0045 1
Brugia malayi Hexokinase family protein 0.0253 0.3058 0.3003
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.008 0.0026
Echinococcus granulosus dnaJ subfamily B 0.0494 0.6027 0.6005
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0045 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0054 0.0045
Onchocerca volvulus 0.0512 0.6254 0.6108
Schistosoma mansoni cpg binding protein 0.0037 0.0399 0.039
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0045 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0375 0.0297
Schistosoma mansoni cpg binding protein 0.0035 0.0375 0.0366
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0045 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0045 1
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.6821 0.6803
Loa Loa (eye worm) hexokinase 0.0512 0.6254 0.6224
Schistosoma mansoni hypothetical protein 0.0494 0.6027 0.6023
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.6821 0.6803
Loa Loa (eye worm) hypothetical protein 0.026 0.3144 0.3089
Loa Loa (eye worm) hexokinase 0.0253 0.3058 0.3002
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0045 1
Brugia malayi hexokinase type II 0.026 0.3144 0.309
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0045 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0045 1
Echinococcus granulosus cpg binding protein 0.0037 0.0399 0.0347
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.6821 0.6803
Onchocerca volvulus Hexokinase homolog 0.0512 0.6254 0.6108
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0045 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0399 0.0347
Echinococcus granulosus neuropeptide s receptor 0.0558 0.6821 0.6803
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0045 1
Schistosoma mansoni cpg binding protein 0.0037 0.0399 0.039
Brugia malayi CXXC zinc finger family protein 0.0035 0.0375 0.0299
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.008 0.0026
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0045 1
Trichomonas vaginalis helicase, putative 0.0008 0.0045 1
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.6027 0.6005
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0045 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0045 1
Loa Loa (eye worm) hypothetical protein 0.0557 0.6804 0.6778
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0853 0.0845
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0045 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0045 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0045 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] 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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