Detailed information for compound 1419788

Basic information

Technical information
  • TDR Targets ID: 1419788
  • Name: 1-(4-morpholin-4-yl-3-nitrophenyl)piperidine- 2,6-dione
  • MW: 319.313 | Formula: C15H17N3O5
  • H donors: 0 H acceptors: 4 LogP: 0.64 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCCC(=O)N1c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
  • InChi: 1S/C15H17N3O5/c19-14-2-1-3-15(20)17(14)11-4-5-12(13(10-11)18(21)22)16-6-8-23-9-7-16/h4-5,10H,1-3,6-9H2
  • InChiKey: FBBBCDUBMXWMLX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6203-60-7
  • EU-0098551
  • MLS000682615
  • SMR000311972

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Schistosoma mansoni smad 0.0056 0.016 0.0189
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0177 0.0722 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0125 0.0481 0.0568
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0029 0.0036 1
Brugia malayi MH1 domain containing protein 0.0069 0.0221 0.0221
Chlamydia trachomatis DNA ligase 0.0029 0.0036 0.5
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0029 0.0036 1
Brugia malayi hypothetical protein 0.007 0.0227 0.0227
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.0481 0.0481
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0036 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0221 0.0221
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0125 0.0481 0.0568
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0177 0.0722 0.0853
Toxoplasma gondii isocitrate dehydrogenase 0.0177 0.0722 1
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0036 1
Brugia malayi N-terminal motif family protein 0.0182 0.0747 0.0747
Brugia malayi hypothetical protein 0.0029 0.0036 0.0036
Loa Loa (eye worm) MH1 domain-containing protein 0.0125 0.0481 0.0481
Brugia malayi hypothetical protein 0.0109 0.0407 0.0407
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0687 0.3096 0.3656
Loa Loa (eye worm) hypothetical protein 0.018 0.0739 0.0739
Brugia malayi TAR-binding protein 0.1841 0.8467 0.8467
Loa Loa (eye worm) TAR-binding protein 0.1841 0.8467 0.8467
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0125 0.0481 0.0568
Brugia malayi MH1 domain containing protein 0.0125 0.0481 0.0481
Echinococcus granulosus Smad4 0.0125 0.0481 0.0568
Leishmania major hypothetical protein, conserved 0.0109 0.0407 0.5637
Echinococcus multilocularis muscleblind protein 1 0.018 0.0739 0.0873
Brugia malayi isocitrate dehydrogenase 0.0177 0.0722 0.0722
Trypanosoma cruzi PAB1-binding protein , putative 0.0109 0.0407 0.5408
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0177 0.0722 1
Loa Loa (eye worm) hypothetical protein 0.018 0.0739 0.0739
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0036 1
Brugia malayi RNA binding protein 0.1841 0.8467 0.8467
Plasmodium falciparum ataxin-2 like protein, putative 0.0109 0.0407 0.5408
Schistosoma mansoni hypothetical protein 0.0687 0.3096 0.3656
Loa Loa (eye worm) hypothetical protein 0.0029 0.0036 0.0036
Echinococcus multilocularis replication factor c subunit 1 0.0029 0.0036 0.0042
Loa Loa (eye worm) hypothetical protein 0.0029 0.0036 0.0036
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0177 0.0722 0.0853
Echinococcus multilocularis isocitrate dehydrogenase 0.0177 0.0722 0.0853
Loa Loa (eye worm) hypothetical protein 0.0029 0.0036 0.0036
Schistosoma mansoni Smad4 0.0056 0.016 0.0189
Brugia malayi Muscleblind-like protein 0.018 0.0739 0.0739
Schistosoma mansoni hypothetical protein 0.0687 0.3096 0.3656
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0687 0.3096 0.3656
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0177 0.0722 1
Onchocerca volvulus 0.0297 0.1284 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0125 0.0481 0.0568
Loa Loa (eye worm) RNA binding protein 0.1841 0.8467 0.8467
Echinococcus multilocularis Smad4 0.0125 0.0481 0.0568
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0049 0.0127 0.0151
Schistosoma mansoni Smad4 0.0125 0.0481 0.0568
Brugia malayi latrophilin 2 splice variant baaae 0.1484 0.6804 0.6804
Brugia malayi MH2 domain containing protein 0.0056 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0029 0.0036 0.0036
Schistosoma mansoni tar DNA-binding protein 0.1841 0.8467 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0029 0.0036 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0177 0.0722 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.2171 1 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0029 0.0036 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0177 0.0722 0.0853
Schistosoma mansoni smad1 5 8 and 0.0125 0.0481 0.0568
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0177 0.0722 0.0853
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1841 0.8467 0.8467
Schistosoma mansoni hypothetical protein 0.1484 0.6804 0.8036
Loa Loa (eye worm) MH2 domain-containing protein 0.1833 0.8426 0.8426
Plasmodium vivax ataxin-2 like protein, putative 0.0109 0.0407 0.5408
Brugia malayi MH1 domain containing protein 0.0125 0.0481 0.0481
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0177 0.0722 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0036 0.0036
Echinococcus granulosus muscleblind protein 0.018 0.0739 0.0873
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0036 1
Schistosoma mansoni tar DNA-binding protein 0.1841 0.8467 1
Toxoplasma gondii LsmAD domain-containing protein 0.0109 0.0407 0.5408
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0029 0.0036 1
Brugia malayi mothers against decapentaplegic homolog 3 0.0056 0.016 0.016
Schistosoma mansoni hypothetical protein 0.0049 0.0127 0.0151
Brugia malayi hypothetical protein 0.0297 0.1284 0.1284
Schistosoma mansoni chromosome transmission fidelity factor 0.0029 0.0036 0.0042
Echinococcus multilocularis GPCR, family 2 0.0687 0.3096 0.3656
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0029 0.0036 1
Loa Loa (eye worm) hypothetical protein 0.1484 0.6804 0.6804
Schistosoma mansoni Smad4 0.0056 0.016 0.0189
Loa Loa (eye worm) hypothetical protein 0.2171 1 1
Treponema pallidum DNA ligase (lig) 0.0029 0.0036 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.1833 0.8426 0.8426
Loa Loa (eye worm) hypothetical protein 0.0297 0.1284 0.1284
Loa Loa (eye worm) MH2 domain-containing protein 0.0056 0.016 0.016
Echinococcus multilocularis muscleblind protein 0.018 0.0739 0.0873
Loa Loa (eye worm) hypothetical protein 0.0056 0.016 0.016
Echinococcus granulosus replication factor c subunit 1 0.0029 0.0036 0.0042
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0029 0.0036 1
Echinococcus multilocularis mothers against decapentaplegic 2 0.0056 0.016 0.0189
Echinococcus granulosus mothers against decapentaplegic 6 0.0056 0.016 0.0189
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0687 0.3096 0.3656
Echinococcus granulosus TGF beta signal transducer SmadC 0.0125 0.0481 0.0568
Brugia malayi MH2 domain containing protein 0.0125 0.0481 0.0481
Loa Loa (eye worm) hypothetical protein 0.0109 0.0407 0.0407
Schistosoma mansoni hypothetical protein 0.0687 0.3096 0.3656
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0029 0.0036 1
Entamoeba histolytica hypothetical protein 0.0029 0.0036 1
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0029 0.0036 0.0036
Brugia malayi Isocitrate dehydrogenase 0.0177 0.0722 0.0722
Echinococcus granulosus smad 0.0125 0.0481 0.0568
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0177 0.0722 1
Echinococcus granulosus mothers against decapentaplegic 2 0.0056 0.016 0.0189
Brugia malayi Pax transcription activation domain interacting protein 0.0029 0.0036 0.0036
Loa Loa (eye worm) MH1 domain-containing protein 0.0056 0.016 0.016
Echinococcus granulosus nibrin 0.0029 0.0036 0.0042
Toxoplasma gondii isocitrate dehydrogenase 0.0177 0.0722 1
Schistosoma mansoni smad1 5 8 and 0.0125 0.0481 0.0568
Schistosoma mansoni smad1 5 8 and 0.0125 0.0481 0.0568
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0177 0.0722 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0687 0.3096 0.3096
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0049 0.0127 0.0151
Brugia malayi DKFZp564C0469 protein 0.0029 0.0036 0.0036
Schistosoma mansoni topbp1 0.0029 0.0036 0.0042
Schistosoma mansoni topbp1 0.0029 0.0036 0.0042
Brugia malayi Latrophilin receptor protein 2 0.0687 0.3096 0.3096
Loa Loa (eye worm) hypothetical protein 0.0029 0.0036 0.0036
Echinococcus multilocularis tar DNA binding protein 0.1841 0.8467 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0182 0.0747 0.5693
Echinococcus multilocularis nibrin 0.0029 0.0036 0.0042
Brugia malayi MH2 domain containing protein 0.1833 0.8426 0.8426
Echinococcus granulosus tar DNA binding protein 0.1841 0.8467 1
Loa Loa (eye worm) hypothetical protein 0.0687 0.3096 0.3096
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0056 0.016 0.0993
Brugia malayi MH2 domain containing protein 0.0125 0.0481 0.0481
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0177 0.0722 0.0853
Brugia malayi MH1 domain containing protein 0.0069 0.0221 0.0221
Trypanosoma cruzi PAB1-binding protein , putative 0.0109 0.0407 0.5408
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0177 0.0722 1
Brugia malayi hypothetical protein 0.0029 0.0036 0.0036
Loa Loa (eye worm) pigment dispersing factor receptor c 0.2171 1 1
Schistosoma mansoni DNA ligase IV 0.0029 0.0036 0.0042
Brugia malayi Smad1 0.0125 0.0481 0.0481
Loa Loa (eye worm) hypothetical protein 0.0182 0.0747 0.0747
Schistosoma mansoni tar DNA-binding protein 0.1841 0.8467 1
Schistosoma mansoni tar DNA-binding protein 0.1841 0.8467 1
Giardia lamblia Replication factor C, subunit 1 0.0029 0.0036 0.5
Brugia malayi topoisomerase 0.0029 0.0036 0.0036
Brugia malayi RNA recognition motif domain containing protein 0.1841 0.8467 0.8467
Echinococcus multilocularis smad 0.0125 0.0481 0.0568
Schistosoma mansoni smad 0.0125 0.0481 0.0568
Loa Loa (eye worm) isocitrate dehydrogenase 0.0177 0.0722 0.0722
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0177 0.0722 0.0853
Schistosoma mansoni hypothetical protein 0.0687 0.3096 0.3656
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0036 1
Echinococcus granulosus GPCR family 2 0.0687 0.3096 0.3656
Loa Loa (eye worm) Smad1 0.0125 0.0481 0.0481
Loa Loa (eye worm) nuclear factor I 0.0069 0.0221 0.0221
Schistosoma mansoni tar DNA-binding protein 0.1841 0.8467 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0687 0.3096 0.3656
Trichomonas vaginalis replication factor C large subunit, putative 0.0029 0.0036 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0687 0.3096 0.3096
Echinococcus multilocularis mothers against decapentaplegic 6 0.0056 0.016 0.0189
Plasmodium falciparum ataxin-2 like protein, putative 0.0109 0.0407 0.5408
Trypanosoma brucei PAB1-binding protein , putative 0.0109 0.0407 0.5408

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) 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.

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