Detailed information for compound 267874

Basic information

Technical information
  • TDR Targets ID: 267874
  • Name: 3-[5-methoxy-2-(methylamino)phenyl]-1-methylb enzo[g]quinoxalin-2-one
  • MW: 345.394 | Formula: C21H19N3O2
  • H donors: 1 H acceptors: 1 LogP: 3.74 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNc1ccc(cc1c1nc2cc3ccccc3cc2n(c1=O)C)OC
  • InChi: 1S/C21H19N3O2/c1-22-17-9-8-15(26-3)12-16(17)20-21(25)24(2)19-11-14-7-5-4-6-13(14)10-18(19)23-20/h4-12,22H,1-3H3
  • InChiKey: IXWGGPLYJJUPSJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-[5-methoxy-2-(methylamino)phenyl]-1-methyl-benzo[g]quinoxalin-2-one
  • 3-[5-methoxy-2-(methylamino)phenyl]-1-methyl-2-benzo[g]quinoxalinone
  • 3-(5-methoxy-2-methylaminophenyl)-1-methylbenzo[g]quinoxalin-2-one
  • 3-(5-methoxy-2-methylamino-phenyl)-1-methyl-benzo[g]quinoxalin-2-one
  • 3-(5-methoxy-2-methylaminophenyl)-1-methyl-2-benzo[g]quinoxalinone
  • Oprea1_330025

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
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1111 0.2248 0.8788
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.2422 0.5005 0.4983
Echinococcus granulosus carbonic anhydrase 0.2422 0.5005 0.5005
Echinococcus granulosus serine/threonine protein kinase 0.0045 0.0009 0.0009
Schistosoma mansoni carbonic anhydrase-related 0.2422 0.5005 0.5001
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.4798 1 1
Echinococcus granulosus carbonic anhydrase 0.2422 0.5005 0.5005
Loa Loa (eye worm) carbonic anhydrase 3 0.4798 1 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.4798 1 1
Leishmania major carbonic anhydrase-like protein 0.4798 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.4798 1 1
Echinococcus multilocularis carbonic anhydrase 0.2422 0.5005 0.5005
Loa Loa (eye worm) hypothetical protein 0.2422 0.5005 0.4983
Entamoeba histolytica protein kinase, putative 0.0066 0.0052 0.0138
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.2422 0.5005 0.4983
Loa Loa (eye worm) AGC/AKT protein kinase 0.0066 0.0052 0.0009
Echinococcus granulosus carbonic anhydrase II 0.4798 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1778 0.3652 1
Entamoeba histolytica carbonic anhydrase, putative 0.1839 0.378 1
Schistosoma mansoni carbonic anhydrase-related 0.2422 0.5005 0.5001
Giardia lamblia Kinase, AGC PKA 0.0041 0 0.5
Plasmodium falciparum carbonic anhydrase 0.2422 0.5005 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.4798 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1778 0.3652 1
Entamoeba histolytica protein kinase, putative 0.0062 0.0043 0.0115
Schistosoma mansoni carbonic anhydrase 0.1839 0.378 0.3775
Echinococcus multilocularis carbonic anhydrase 0.2422 0.5005 0.5005
Trypanosoma brucei carbonic anhydrase-like protein 0.4798 1 1
Loa Loa (eye worm) hypothetical protein 0.2422 0.5005 0.4983
Echinococcus multilocularis rac serine:threonine kinase 0.0045 0.0009 0.0009
Mycobacterium ulcerans carbonic anhydrase 0.1839 0.378 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.4798 1 1
Entamoeba histolytica protein kinase, putative 0.0066 0.0052 0.0138
Echinococcus multilocularis carbonic anhydrase 0.2422 0.5005 0.5005
Toxoplasma gondii hypothetical protein 0.2422 0.5005 1
Echinococcus multilocularis carbonic anhydrase II 0.4798 1 1
Brugia malayi Protein kinase domain containing protein 0.0066 0.0052 0.0009
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0045 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.2422 0.5005 0.5001
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.1172 0.2377 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.2422 0.5005 0.4983
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0041 0 0.5
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1839 0.378 0.5
Trypanosoma cruzi Protein kinase B 0.0045 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.3097 0.6424 0.6409
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.2422 0.5005 0.4983
Entamoeba histolytica PH domain containing protein kinase, putative 0.0045 0.0009 0.0023
Schistosoma mansoni carbonic anhydrase 0.2422 0.5005 0.5001
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.2422 0.5005 0.4983
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.2422 0.5005 0.4983
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.4798 1 1
Schistosoma mansoni carbonic anhydrase-related 0.2422 0.5005 0.5001
Echinococcus granulosus carbonic anhydrase 0.2422 0.5005 0.5005
Entamoeba histolytica PH domain containing protein kinase, putative 0.0045 0.0009 0.0023

Activities

Activity type Activity value Assay description Source Reference
Ratio (functional) = 1.1 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) = 2.1 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) = 0.5 Ratio for antagonistic activity for Pgp/MRP1 was determined ChEMBL. 11170649
Ratio (functional) = 1.1 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) = 2.1 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
Toxicity (functional) = 3 uM Toxicity as percentage of MCF-7 cells killed at 10 ug/mL ChEMBL. 11170649
Toxicity (functional) = 3 uM Toxicity as percentage of MCF-7 cells killed at 10 ug/mL 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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