Detailed information for compound 1322611

Basic information

Technical information
  • TDR Targets ID: 1322611
  • Name: N-(2,5-dimethoxyphenyl)-2-[3-(4-ethylbenzoyl) -7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetami de
  • MW: 485.531 | Formula: C28H27N3O5
  • H donors: 1 H acceptors: 4 LogP: 4.56 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)C(=O)c1cn(CC(=O)Nc2cc(OC)ccc2OC)c2c(c1=O)ccc(n2)C
  • InChi: 1S/C28H27N3O5/c1-5-18-7-9-19(10-8-18)26(33)22-15-31(28-21(27(22)34)12-6-17(2)29-28)16-25(32)30-23-14-20(35-3)11-13-24(23)36-4/h6-15H,5,16H2,1-4H3,(H,30,32)
  • InChiKey: SDXRLHUBVUMJEI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,5-dimethoxyphenyl)-2-[3-[(4-ethylphenyl)-oxomethyl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
  • N-(2,5-dimethoxyphenyl)-2-[3-(4-ethylbenzoyl)-4-keto-7-methyl-1,8-naphthyridin-1-yl]acetamide
  • N-(2,5-dimethoxyphenyl)-2-[3-(4-ethylphenyl)carbonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]ethanamide
  • E999-0383
  • NCGC00127650-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis irregular chiasm roughest protein immunoglobulin set domain containing protein 0.0079 0.5265 0.5265
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0975 0.5
Onchocerca volvulus 0.0042 0 0.5
Echinococcus multilocularis nephrin 0.0079 0.5265 0.5265
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0975 0.5
Plasmodium falciparum apical sushi protein 0.0042 0 0.5
Onchocerca volvulus 0.0042 0 0.5
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0049 0.0975 0.5
Onchocerca volvulus 0.0042 0 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.0049 0.0975 0.0975
Brugia malayi Immunoglobulin I-set domain containing protein 0.0101 0.8419 0.8419
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0049 0.0975 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0049 0.0975 1
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0975 0.5
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0113 1 1
Echinococcus granulosus nephrin 0.0079 0.5265 0.5265
Brugia malayi Immunoglobulin I-set domain containing protein 0.0101 0.8419 0.8419
Onchocerca volvulus 0.0042 0 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.0975 0.5
Giardia lamblia Kinase, CMGC MAPK 0.0049 0.0975 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.1049 0.1049
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0101 0.8419 0.8419
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0975 0.1851
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0975 0.5
Echinococcus granulosus nephrin 0.0079 0.5265 0.5265
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0151 0.0151
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0151 0.0151
Entamoeba histolytica hypothetical protein 0.0043 0.0151 0.5
Schistosoma mansoni hypothetical protein 0.0079 0.5265 1
Onchocerca volvulus 0.0042 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0151 0.0287
Loa Loa (eye worm) hypothetical protein 0.0113 1 1
Onchocerca volvulus 0.0042 0 0.5
Brugia malayi hypothetical protein 0.0101 0.8419 0.8419
Schistosoma mansoni hypothetical protein 0.0043 0.0151 0.0287
Entamoeba histolytica hypothetical protein 0.0043 0.0151 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0049 0.0975 0.5
Schistosoma mansoni hypothetical protein 0.0054 0.1665 0.3162
Onchocerca volvulus 0.0042 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0151 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0049 0.0975 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.0975 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0049 0.0975 0.0975
Echinococcus granulosus Immunoglobulin 0.0079 0.5265 0.5265
Echinococcus granulosus mitogen activated protein kinase 3 0.0049 0.0975 0.0975
Brugia malayi MAP kinase sur-1 0.0049 0.0975 0.0975
Echinococcus granulosus irregular chiasm roughest protein 0.0079 0.5265 0.5265
Entamoeba histolytica hypothetical protein 0.0043 0.0151 0.5
Echinococcus multilocularis Immunoglobulin 0.0079 0.5265 0.5265
Echinococcus granulosus mitogen activated protein kinase 0.0049 0.0975 0.0975
Trypanosoma brucei protein kinase, putative 0.0049 0.0975 0.5
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.1665 0.1665
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0113 1 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.1665 0.3162
Schistosoma mansoni hypothetical protein 0.0079 0.5265 1
Brugia malayi GCC2 and GCC3 family protein 0.0056 0.1972 0.1972
Brugia malayi hypothetical protein 0.0043 0.0151 0.0151
Onchocerca volvulus 0.0042 0 0.5
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0101 0.8419 0.8419
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0049 0.0975 0.5
Plasmodium vivax apical sushi protein, putative 0.0042 0 0.5
Echinococcus multilocularis conserved hypothetical protein 0.0079 0.5265 0.5265
Onchocerca volvulus 0.0042 0 0.5
Loa Loa (eye worm) MBCTL1 0.0054 0.1665 0.1665
Onchocerca volvulus 0.0042 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.1972 0.1972
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.1665 0.1665
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0049 0.0975 0.0975

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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