Detailed information for compound 268468

Basic information

Technical information
  • TDR Targets ID: 268468
  • Name: 2-[(4-methyl-3-oxoquinoxalin-2-yl)methoxy]-N- phenylbenzamide
  • MW: 385.415 | Formula: C23H19N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.41 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1OCc1nc2ccccc2n(c1=O)C)Nc1ccccc1
  • InChi: 1S/C23H19N3O3/c1-26-20-13-7-6-12-18(20)25-19(23(26)28)15-29-21-14-8-5-11-17(21)22(27)24-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,24,27)
  • InChiKey: UXEQNNVFKMVHKT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-methyl-3-oxo-quinoxalin-2-yl)methoxy]-N-phenyl-benzamide
  • 2-[(4-methyl-3-oxo-2-quinoxalinyl)methoxy]-N-phenylbenzamide
  • 2-[(3-keto-4-methyl-quinoxalin-2-yl)methoxy]-N-phenyl-benzamide

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) mannose-6-phosphate isomerase 0.0215 1 0.5
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA 0.0215 1 0.5
Plasmodium falciparum mannose-6-phosphate isomerase, putative 0.0215 1 0.5
Toxoplasma gondii phosphomannose isomerase type I protein 0.0215 1 0.5
Echinococcus multilocularis mannose 6 phosphate isomerase 0.0215 1 0.5
Trichomonas vaginalis mannose-6-phosphate isomerase, putative 0.0215 1 0.5
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0215 1 0.5
Plasmodium vivax mannose-6-phosphate isomerase, putative 0.0215 1 0.5
Trypanosoma brucei phosphomannose isomerase 0.0215 1 0.5
Schistosoma mansoni mannose-6-phosphate isomerase 0.0215 1 0.5
Mycobacterium tuberculosis Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho 0.0117 0 0.5
Trypanosoma cruzi phosphomannose isomerase, putative 0.0215 1 0.5
Entamoeba histolytica phosphomannose isomerase, putative 0.0215 1 0.5
Mycobacterium leprae probable mannose-6-phosphate isomerase ManA (PHOSPHOMANNOSE ISOMERASE) (PHOSPHOMANNOISOMERASE) (PMI) (PHOSPHOHEXOISOMERASE) (PHO 0.0117 0 0.5
Trypanosoma cruzi phosphomannose isomerase, putative 0.0215 1 0.5
Leishmania major phosphomannose isomerase 0.0215 1 0.5
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0215 1 0.5
Echinococcus granulosus mannose 6 phosphate isomerase 0.0215 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 32 uM Cytotoxicity of the compound against MCF-7 breast carcinoma cells at 10 ug/mL ChEMBL. 11170649
IC50 (functional) > 32 uM Cytotoxicity of the compound against MCF-7 breast carcinoma cells at 10 ug/mL ChEMBL. 11170649
Ratio (functional) = 1 The MRP1 antagonism score is the percentage of MCF-7/VP cells surviving in the absence of vincristine to that of in the presence of vincristine. ChEMBL. 11170649
Ratio (functional) = 3.6 The P-glycoprotein (Pgp) antagonism score is the percentage of NCI/ADR cells surviving in the absence of vinblastine to that of in the presence of vinblastine. ChEMBL. 11170649
Ratio (functional) = 1 The MRP1 antagonism score is the percentage of MCF-7/VP cells surviving in the absence of vincristine to that of in the presence of vincristine. ChEMBL. 11170649
Ratio (functional) = 3.6 The P-glycoprotein (Pgp) antagonism score is the percentage of NCI/ADR cells surviving in the absence of vinblastine to that of in the presence of vinblastine. ChEMBL. 11170649
Ratio (functional) = 3.6 Ratio for antagonistic activity for Pgp/MRP1 was determined ChEMBL. 11170649

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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