Detailed information for compound 1295293

Basic information

Technical information
  • TDR Targets ID: 1295293
  • Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4 -methylbenzoate
  • MW: 291.342 | Formula: C16H21NO4
  • H donors: 0 H acceptors: 2 LogP: 2.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1OC(C)CN(C1)C(=O)COC(=O)c1ccc(cc1)C
  • InChi: 1S/C16H21NO4/c1-11-4-6-14(7-5-11)16(19)20-10-15(18)17-8-12(2)21-13(3)9-17/h4-7,12-13H,8-10H2,1-3H3
  • InChiKey: MQHXQEBXAUMBMJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(2,6-dimethylmorpholin-4-yl)-2-oxo-ethyl] 4-methylbenzoate
  • 4-methylbenzoic acid [2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl] ester
  • 4-methylbenzoic acid [2-(2,6-dimethylmorpholin-4-yl)-2-keto-ethyl] ester
  • IDI1_007461
  • Enamine_003818
  • T0510-7592
  • Oprea1_414484

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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) PHD-finger family protein 0.002 0.0123 0.0123
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.006 0.5
Brugia malayi MH2 domain containing protein 0.0115 0.3505 0.3466
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0189 0.0189
Brugia malayi Bromodomain containing protein 0.0037 0.0732 0.0676
Loa Loa (eye worm) hypothetical protein 0.0119 0.3633 0.3633
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0189 0.0362
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.006 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.065 0.1246
Schistosoma mansoni ap endonuclease 0.0018 0.006 0.006
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.3505 0.3505
Onchocerca volvulus Huntingtin homolog 0.0119 0.3633 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.006 0.5
Toxoplasma gondii exonuclease III APE 0.0018 0.006 0.5
Schistosoma mansoni hypothetical protein 0.0164 0.5221 0.5221
Loa Loa (eye worm) hypothetical protein 0.0069 0.1849 0.1849
Echinococcus granulosus geminin 0.0164 0.5221 1
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0021 0.0021
Schistosoma mansoni bromodomain containing protein 0.0061 0.1592 0.1592
Echinococcus granulosus zinc finger protein 0.0019 0.0087 0.0166
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.006 0.5
Loa Loa (eye worm) hypothetical protein 0.0119 0.3633 0.3633
Schistosoma mansoni zinc finger protein 0.0019 0.0087 0.0087
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.1469 0.2814
Brugia malayi PHD-finger family protein 0.0024 0.0271 0.0212
Loa Loa (eye worm) hypothetical protein 0.0037 0.0734 0.0734
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0189 0.0362
Echinococcus multilocularis zinc finger protein 0.0019 0.0087 0.0166
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.006 0.5
Brugia malayi hypothetical protein 0.0119 0.3633 0.3594
Loa Loa (eye worm) hypothetical protein 0.0041 0.0882 0.0882
Schistosoma mansoni ap endonuclease 0.0018 0.006 0.006
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.3505 0.3505
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.006 0.0116
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.006 0.5
Schistosoma mansoni hypothetical protein 0.002 0.0123 0.0123
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.006 0.006
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.006 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.1469 0.2814
Brugia malayi Bromodomain containing protein 0.0073 0.1996 0.1947
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.006 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.006 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.006 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.065 0.1246
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.006 0.5
Echinococcus multilocularis geminin 0.0164 0.5221 1
Onchocerca volvulus Huntingtin homolog 0.0119 0.3633 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0816 0.0816
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.006 0.0116
Schistosoma mansoni hypothetical protein 0.0164 0.5221 0.5221

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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

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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