Detailed information for compound 869743

Basic information

Technical information
  • TDR Targets ID: 869743
  • Name: N-(2-diethylaminoethyl)-1-(2-ethyl-6-methyl2, 3-dihydro-1,4-benzoxazine-4-carbonyl)piperidi ne-4-carboxamide
  • MW: 430.584 | Formula: C24H38N4O3
  • H donors: 1 H acceptors: 2 LogP: 2.9 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCNC(=O)C1CCN(CC1)C(=O)N1CC(CC)Oc2c1cc(C)cc2)CC
  • InChi: 1S/C24H38N4O3/c1-5-20-17-28(21-16-18(4)8-9-22(21)31-20)24(30)27-13-10-19(11-14-27)23(29)25-12-15-26(6-2)7-3/h8-9,16,19-20H,5-7,10-15,17H2,1-4H3,(H,25,29)
  • InChiKey: OSDGXYSXFKRFAK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-diethylaminoethyl)-1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
  • N-(2-diethylaminoethyl)-1-[(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-oxomethyl]-4-piperidinecarboxamide
  • N-(2-diethylaminoethyl)-1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)isonipecotamide
  • N-(2-diethylaminoethyl)-1-[(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonyl]piperidine-4-carboxamide
  • E216-5706
  • NCGC00121587-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein 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 musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed 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
Echinococcus multilocularis cytoplasmic 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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis 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 japonicum Intermediate filament protein ifa-1, putative 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 protein 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) intermediate filament tail domain-containing protein 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
Echinococcus granulosus lamin dm0 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
Echinococcus granulosus lamin 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
Schistosoma mansoni intermediate filament proteins 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
Schistosoma mansoni lamin 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
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 0.0126 1 1
Brugia malayi Galactoside-binding lectin family protein 0.0126 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1392 0.1392
Onchocerca volvulus Galectin homolog 0.0126 1 1
Loa Loa (eye worm) galectin 0.0126 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.1392 0.1392
Echinococcus multilocularis Galectin, carbohydrate recognition domain 0.0126 1 1
Brugia malayi Galactoside-binding lectin family protein 0.0126 1 1
Loa Loa (eye worm) galactoside-binding lectin family protein 0.0126 1 1
Brugia malayi intermediate filament protein 0.0033 0.1392 0.1392
Loa Loa (eye worm) galactoside-binding lectin family protein 0.0126 1 1
Onchocerca volvulus Galectin homolog 0.0126 1 1
Loa Loa (eye worm) galectin 0.0126 1 1
Brugia malayi galectin 0.0126 1 1
Loa Loa (eye worm) hypothetical protein 0.0126 1 1
Schistosoma mansoni galectin 0.0126 1 1
Loa Loa (eye worm) hypothetical protein 0.0126 1 1
Loa Loa (eye worm) galactoside-binding lectin family protein 0.0126 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.1338 0.1338
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1392 0.1392
Brugia malayi galectin 0.0126 1 1
Echinococcus granulosus Galectin carbohydrate recognition domain 0.0126 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1392 0.1392
Brugia malayi Galactoside-binding lectin family protein 0.0126 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 22.3872 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) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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