Detailed information for compound 458732

Basic information

Technical information
  • TDR Targets ID: 458732
  • Name: 1-(1H-indol-3-yl)-2-morpholin-4-ylethane-1,2- dione
  • MW: 258.273 | Formula: C14H14N2O3
  • H donors: 1 H acceptors: 2 LogP: 1.02 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)c1c[nH]c2c1cccc2)N1CCOCC1
  • InChi: 1S/C14H14N2O3/c17-13(14(18)16-5-7-19-8-6-16)11-9-15-12-4-2-1-3-10(11)12/h1-4,9,15H,5-8H2
  • InChiKey: LMNYZFUEOJRQSR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(1H-indol-3-yl)-2-morpholino-ethane-1,2-dione
  • 1-(1H-indol-3-yl)-2-morpholinoethane-1,2-dione
  • 1-(1H-indol-3-yl)-2-morpholin-4-yl-ethane-1,2-dione
  • CBMicro_026314
  • BIM-0026479.P001
  • MLS000692740
  • SMR000285198
  • ST056680
  • ZINC02023730
  • BAS 00234547

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin 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
Loa Loa (eye worm) hypothetical 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 lamin dm0 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
Echinococcus granulosus intermediate filament 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
Schistosoma mansoni intermediate filament proteins 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
Echinococcus granulosus 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
Schistosoma mansoni 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
Echinococcus multilocularis cytoplasmic 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative 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
Loa Loa (eye worm) hypothetical protein 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
Loa Loa (eye worm) intermediate filament tail domain-containing 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
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.8515 0.8515
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0019 0.0705 0.5
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0705 0.0847
Echinococcus multilocularis jun protein 0.0082 1 1
Echinococcus granulosus lamin dm0 0.0033 0.2699 0.2699
Loa Loa (eye worm) hypothetical protein 0.0015 0.0147 0.0134
Loa Loa (eye worm) hypothetical protein 0.0019 0.0705 0.0713
Brugia malayi jmjC domain containing protein 0.0019 0.0705 0.0705
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.8326 1
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0487 0.0487
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0705 0.0847
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0014 0.0018 0.0021
Brugia malayi jmjC domain containing protein 0.0019 0.0705 0.0705
Echinococcus granulosus Ankyrin 0.0014 0.0018 0.0018
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0019 0.0705 0.0705
Brugia malayi jmjC domain containing protein 0.0071 0.8326 0.8326
Echinococcus multilocularis lamin dm0 0.0033 0.2699 0.2699
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0705 0.0705
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0487 0.0486
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0705 0.0847
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0705 0.0705
Loa Loa (eye worm) hypothetical protein 0.0032 0.2612 0.2688
Schistosoma mansoni lamin 0.0033 0.2699 0.3242
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.8326 0.8326
Schistosoma mansoni hypothetical protein 0.0067 0.774 0.9296
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.2699 0.2778
Echinococcus granulosus intermediate filament protein 0.0033 0.2699 0.2699
Echinococcus granulosus jun protein 0.0082 1 1
Echinococcus granulosus phd:f box containing protein 0.0019 0.0705 0.0705
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0019 0.0705 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0705 0.0713
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.8326 0.8326
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0705 0.0847
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.8326 0.8608
Plasmodium falciparum JmjC domain-containing protein, putative 0.0019 0.0705 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0705 0.0713
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0234 0.0234
Brugia malayi hypothetical protein 0.0065 0.7409 0.7409
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0705 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.2699 0.2778
Echinococcus multilocularis musashi 0.0033 0.2699 0.2699
Onchocerca volvulus 0.0065 0.7409 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0234 0.0234
Plasmodium vivax JmjC domain containing protein 0.0019 0.0705 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0705 0.0713
Loa Loa (eye worm) hypothetical protein 0.0016 0.0234 0.0224
Schistosoma mansoni jumonji domain containing protein 0.0071 0.8326 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.8326 0.8326
Brugia malayi jmjC domain containing protein 0.0019 0.0705 0.0705
Echinococcus multilocularis lamin 0.0033 0.2699 0.2699
Schistosoma mansoni jun-related protein 0.0067 0.774 0.9296
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.8326 0.8326
Schistosoma mansoni intermediate filament proteins 0.0033 0.2699 0.3242
Brugia malayi jmjC domain containing protein 0.0019 0.0705 0.0705
Leishmania major hypothetical protein, conserved 0.0019 0.0705 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0705 0.0713
Echinococcus multilocularis Ankyrin 0.0014 0.0018 0.0018
Brugia malayi intermediate filament protein 0.0033 0.2699 0.2699
Echinococcus granulosus nuclear factor of activated T cells 5 0.0072 0.8515 0.8515
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0705 0.0705
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0705 0.0705
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.8326 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0082 1 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.2699 0.2778
Loa Loa (eye worm) hypothetical protein 0.0015 0.0147 0.0134
Schistosoma mansoni lamin 0.0033 0.2699 0.3242
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0705 0.5
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0019 0.0705 0.0705
Loa Loa (eye worm) hypothetical protein 0.008 0.9669 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.2699 0.2699
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0705 0.0705
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0705 0.0705
Brugia malayi jmjC domain containing protein 0.0071 0.8326 0.8326
Loa Loa (eye worm) hypothetical protein 0.0019 0.0705 0.0713
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0019 0.0705 0.5
Echinococcus granulosus lamin 0.0033 0.2699 0.2699
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0705 0.0847
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0082 1 1
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0705 0.0705

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 4 % Growth inhibition of Escherichia coli DH5[alpha] at 200 uM incubated for 16 hrs ChEMBL. 25778767
Inhibition (functional) = 78.06 % Antileishmanial activity against Leishmania donovani assesed as inhibition of amastigotes at 10 ug/ml ChEMBL. 17548194
Inhibition (functional) = 78.06 % Antileishmanial activity against Leishmania donovani assesed as inhibition of amastigotes at 10 ug/ml ChEMBL. 17548194
Inhibition (functional) = 83.2 % Antileishmanial activity against Leishmania donovani assesed as inhibition of promastigotes at 10 ug/ml ChEMBL. 17548194
Inhibition (functional) = 83.2 % Antileishmanial activity against Leishmania donovani assesed as inhibition of promastigotes at 10 ug/ml ChEMBL. 17548194
MIC (functional) < 128 ug ml-1 Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 2 to 3 weeks by broth microdilution assay ChEMBL. 24589483
Potency (functional) = 0.0035 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.1259 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 23.7558 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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

1 literature reference was collected for this gene.

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