Detailed information for compound 1273267

Basic information

Technical information
  • TDR Targets ID: 1273267
  • Name: N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylqu inoxalin-2-yl)oxyacetamide
  • MW: 424.45 | Formula: C22H24N4O5
  • H donors: 1 H acceptors: 3 LogP: 2.44 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)ccc1NC(=O)COc1nc2ccccc2nc1N1CCOCC1
  • InChi: 1S/C22H24N4O5/c1-28-15-7-8-18(19(13-15)29-2)23-20(27)14-31-22-21(26-9-11-30-12-10-26)24-16-5-3-4-6-17(16)25-22/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)
  • InChiKey: PULSRLFITXIULF-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(2,4-dimethoxyphenyl)-2-(3-morpholinoquinoxalin-2-yl)oxy-acetamide
  • N-(2,4-dimethoxyphenyl)-2-[(3-morpholino-2-quinoxalinyl)oxy]acetamide
  • N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxy-ethanamide
  • T5310231
  • MLS000770293
  • SMR000375618

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470

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
Onchocerca volvulus 0.0286 0.6993 1
Schistosoma mansoni dihydrofolate reductase 0.0394 1 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0394 1 0.5
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.015 0.3201 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0394 1 0.5
Trichomonas vaginalis set domain proteins, putative 0.0286 0.6993 0.5
Chlamydia trachomatis dihydrofolate reductase 0.0394 1 0.5
Echinococcus granulosus dihydrofolate reductase 0.0394 1 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.015 0.3201 0.5
Brugia malayi Pre-SET motif family protein 0.0251 0.6022 0.6022
Loa Loa (eye worm) dihydrofolate reductase 0.0394 1 1
Echinococcus multilocularis dihydrofolate reductase 0.0394 1 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.015 0.3201 0.5
Leishmania major dihydrofolate reductase-thymidylate synthase 0.015 0.3201 0.5
Brugia malayi Dihydrofolate reductase 0.0394 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.015 0.3201 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6022 0.6022
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.015 0.3201 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0394 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0316 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 39.8107 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 (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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