Detailed information for compound 1752572

Basic information

Technical information
  • TDR Targets ID: 1752572
  • Name: 2-(aziridin-1-yl)-3-methoxyquinoxaline
  • MW: 201.225 | Formula: C11H11N3O
  • H donors: 0 H acceptors: 2 LogP: 1.74 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1nc2ccccc2nc1N1CC1
  • InChi: 1S/C11H11N3O/c1-15-11-10(14-6-7-14)12-8-4-2-3-5-9(8)13-11/h2-5H,6-7H2,1H3
  • InChiKey: OQVBWLCXCLNBNY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(aziridin-1-yl)-3-methoxy-quinoxaline
  • 2-(1-aziridinyl)-3-methoxyquinoxaline
  • 2-ethylenimino-3-methoxy-quinoxaline
  • 92289-53-7
  • Quinoxaline, 2-(1-aziridinyl)-3-methoxy-
  • NSC408225

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
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 0.0379 0.0847 0.0888
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0379 0.0847 0.0888
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0179 0.0386 0.4563
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0379 0.0847 1
Loa Loa (eye worm) hypothetical protein 0.0379 0.0847 0.0888
Loa Loa (eye worm) hypothetical protein 0.0179 0.0386 0.0405
Loa Loa (eye worm) hypothetical protein 0.0379 0.0847 0.0888
Brugia malayi Nuclear hormone receptor-like 1 0.02 0.0436 0.0457
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0379 0.0847 0.0888
Loa Loa (eye worm) hypothetical protein 0.0379 0.0847 0.0888
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0179 0.0386 0.4563
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0379 0.0847 1
Brugia malayi nuclear receptor NHR-88 0.0179 0.0386 0.0405
Schistosoma mansoni retinoic acid receptor RXR 0.0379 0.0847 1
Loa Loa (eye worm) hypothetical protein 0.02 0.0436 0.0457
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0379 0.0847 0.0888
Loa Loa (eye worm) hypothetical protein 0.0179 0.0386 0.0405
Loa Loa (eye worm) hypothetical protein 0.02 0.0436 0.0457
Schistosoma mansoni nuclear receptor 0.0179 0.0386 0.4563
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0379 0.0847 1
Schistosoma mansoni thyroid hormone receptor 0.0379 0.0847 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0179 0.0386 0.4563
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0379 0.0847 0.0888
Brugia malayi nuclear receptor NHR-67 0.0179 0.0386 0.0405
Loa Loa (eye worm) nuclear receptor NHR-67 0.0179 0.0386 0.0405
Loa Loa (eye worm) hypothetical protein 0.0179 0.0386 0.0405
Onchocerca volvulus 0.0179 0.0386 0.0386
Loa Loa (eye worm) hypothetical protein 0.0179 0.0386 0.0405
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0379 0.0847 0.0888
Schistosoma mansoni zinc finger protein 0.0179 0.0386 0.4563
Loa Loa (eye worm) hypothetical protein 0.0379 0.0847 0.0888
Loa Loa (eye worm) hypothetical protein 0.0179 0.0386 0.0405
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0379 0.0847 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0179 0.0386 0.0405
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.02 0.0436 0.5145
Toxoplasma gondii hypothetical protein 0.0011 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0379 0.0847 0.0888
Brugia malayi orphan nuclear receptor NR2E1 0.0179 0.0386 0.0405
Brugia malayi nuclear receptor RXR 0.0179 0.0386 0.0405
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0379 0.0847 1
Loa Loa (eye worm) nuclear hormone receptor 0.0179 0.0386 0.0405
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.02 0.0436 0.0457
Loa Loa (eye worm) steroid hormone receptor 0.0379 0.0847 0.0888
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0379 0.0847 0.0888
Schistosoma mansoni nuclear hormone receptor 0.0179 0.0386 0.4563
Brugia malayi nuclear receptor RXR 0.02 0.0436 0.0457
Brugia malayi ecdysteroid receptor 0.0379 0.0847 0.0888
Schistosoma mansoni nuclear hormone receptor 0.0179 0.0386 0.4563
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0179 0.0386 0.4563
Echinococcus multilocularis ecdysone induced protein 78C 0.0379 0.0847 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.02 0.0436 0.5145
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0379 0.0847 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0179 0.0386 0.4563
Brugia malayi nuclear hormone receptor 0.0379 0.0847 0.0888
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0179 0.0386 0.0386
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0379 0.0847 0.0888
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0379 0.0847 0.0888
Onchocerca volvulus Protein ultraspiracle homolog 0.0379 0.0847 0.0847
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0179 0.0386 0.4563
Loa Loa (eye worm) hypothetical protein 0.0179 0.0386 0.0405
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0379 0.0847 0.0888
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0379 0.0847 1
Onchocerca volvulus Bile acid receptor homolog 0.0379 0.0847 0.0847
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0379 0.0847 0.0888
Schistosoma mansoni steroid hormone receptor ad4bp 0.0379 0.0847 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.0476 0.0499
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.0476 0.0476
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0379 0.0847 0.0888
Echinococcus granulosus ecdysone induced protein 78C 0.0379 0.0847 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0379 0.0847 0.0888
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0379 0.0847 1
Schistosoma mansoni nuclear receptor 0.0179 0.0386 0.4563
Schistosoma mansoni coup transcription factor 0.0379 0.0847 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0379 0.0847 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0379 0.0847 0.0888
Loa Loa (eye worm) hypothetical protein 0.02 0.0436 0.0457
Echinococcus multilocularis nuclear receptor nhr 48 0.0179 0.0386 0.4563
Loa Loa (eye worm) nuclear receptor nhr-7B 0.4161 0.954 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0379 0.0847 0.0888
Loa Loa (eye worm) hypothetical protein 0.02 0.0436 0.0457
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0179 0.0386 0.0405
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0379 0.0847 1
Schistosoma mansoni thyroid hormone receptor 0.0379 0.0847 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.0386 0.0405
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0179 0.0386 0.4563
Loa Loa (eye worm) hypothetical protein 0.0179 0.0386 0.0405
Brugia malayi Nuclear hormone receptor E75 0.0179 0.0386 0.0405
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0379 0.0847 0.0888
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0379 0.0847 0.0888
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0379 0.0847 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0179 0.0386 0.4563
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0379 0.0847 1
Schistosoma mansoni RAR-like nuclear receptor 0.0379 0.0847 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.02 0.0436 0.5145
Loa Loa (eye worm) hypothetical protein 0.0379 0.0847 0.0888
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0379 0.0847 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0379 0.0847 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.0386 0.0405
Brugia malayi hypothetical protein 0.02 0.0436 0.0457
Brugia malayi nuclear receptor NHR-88 0.0379 0.0847 0.0888
Echinococcus granulosus Nuclear hormone receptor HR96 0.0179 0.0386 0.4563
Brugia malayi Nuclear hormone receptor E75 0.0179 0.0386 0.0405
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0379 0.0847 0.0888
Brugia malayi nuclear hormone receptor family member odr-7 0.0179 0.0386 0.0405
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0379 0.0847 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0179 0.0386 0.0386
Brugia malayi ecdysone receptor 0.0179 0.0386 0.0405
Brugia malayi nuclear hormone receptor 0.4161 0.954 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0179 0.0386 0.4563
Loa Loa (eye worm) hypothetical protein 0.0179 0.0386 0.0405
Brugia malayi Nuclear hormone receptor-like 1 0.0379 0.0847 0.0888
Brugia malayi tailless protein 0.0179 0.0386 0.0405
Loa Loa (eye worm) hypothetical protein 0.3982 0.9129 0.9569
Loa Loa (eye worm) hypothetical protein 0.0179 0.0386 0.0405
Brugia malayi hypothetical protein 0.02 0.0436 0.0457
Brugia malayi conserved hypotetical protein 0.0179 0.0386 0.0405
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0379 0.0847 0.0888
Onchocerca volvulus 0.0379 0.0847 0.0847
Onchocerca volvulus 0.0179 0.0386 0.0386
Echinococcus multilocularis thyroid hormone receptor alpha 0.0379 0.0847 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0379 0.0847 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0179 0.0386 0.4563
Brugia malayi steroid hormone receptor 0.0379 0.0847 0.0888
Brugia malayi Nuclear hormone receptor-like 1 0.02 0.0436 0.0457
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0379 0.0847 1
Brugia malayi hypothetical protein 0.0179 0.0386 0.0405
Loa Loa (eye worm) hypothetical protein 0.0379 0.0847 0.0888
Brugia malayi hypothetical protein 0.0179 0.0386 0.0405
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0179 0.0386 0.4563
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0379 0.0847 0.0888
Loa Loa (eye worm) hypothetical protein 0.0179 0.0386 0.0405
Echinococcus multilocularis FTZ F1 alpha 0.0379 0.0847 1
Schistosoma mansoni nuclear receptor nhr-48 0.0179 0.0386 0.4563
Loa Loa (eye worm) hypothetical protein 0.0379 0.0847 0.0888
Brugia malayi photoreceptor-specific nuclear receptor 0.0379 0.0847 0.0888
Echinococcus granulosus FTZ F1 alpha 0.0379 0.0847 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0379 0.0847 1
Schistosoma mansoni nuclear hormone receptor 0.0379 0.0847 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.0386 0.0405
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0379 0.0847 1
Brugia malayi N-terminal motif family protein 0.0218 0.0476 0.0499
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0379 0.0847 0.0888
Loa Loa (eye worm) DR-78 0.0179 0.0386 0.0405
Schistosoma mansoni retinoid-x-receptor (RXR) 0.02 0.0436 0.5145
Echinococcus granulosus nuclear receptor nhr 48 0.0179 0.0386 0.4563
Loa Loa (eye worm) hypothetical protein 0.02 0.0436 0.0457

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (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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