Detailed information for compound 1132427

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 331.366 | Formula: C17H21N3O4
  • H donors: 1 H acceptors: 2 LogP: 2.85 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cc2c([nH]1)ccn1c2nc(c1)C(OCC)OCC
  • InChi: 1S/C17H21N3O4/c1-4-22-16(21)13-9-11-12(18-13)7-8-20-10-14(19-15(11)20)17(23-5-2)24-6-3/h7-10,17-18H,4-6H2,1-3H3
  • InChiKey: KAEQHTRQZFYOSX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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) hypothetical protein 0.001 0.1054 0.2229
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.1054 0.2086
Loa Loa (eye worm) hypothetical protein 0.001 0.1054 0.2229
Schistosoma mansoni cpg binding protein 0.003 0.4331 0.4331
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.1054 0.2229
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0767 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.1054 0.2229
Onchocerca volvulus 0.0029 0.4177 0.9634
Schistosoma mansoni ferritin 0.0009 0.0767 0.0767
Schistosoma mansoni nuclear receptor 0.0005 0.0114 0.0114
Schistosoma mansoni lamin 0.0029 0.4177 0.4177
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0005 0.0114 0.0114
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.1054 0.2086
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0215 0.0239
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.0767 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.1054 0.2086
Loa Loa (eye worm) hypothetical protein 0.0028 0.4087 0.9421
Echinococcus multilocularis lamin 0.0029 0.4177 0.9018
Echinococcus granulosus intermediate filament protein 0.0029 0.4177 0.9018
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.1054 0.2229
Brugia malayi steroid hormone receptor 0.001 0.1054 0.2229
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.1054 0.2229
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0114 0.0114
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.1054 0.1054
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0215 0.0215
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.1054 0.1054
Schistosoma mansoni lamin 0.0029 0.4177 0.4177
Loa Loa (eye worm) hypothetical protein 0.0005 0.0215 0.0239
Echinococcus multilocularis cpg binding protein 0.0031 0.4619 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.1054 0.2229
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0215 0.0215
Brugia malayi nuclear receptor NHR-88 0.001 0.1054 0.2229
Loa Loa (eye worm) hypothetical protein 0.001 0.1054 0.2229
Echinococcus multilocularis FTZ F1 alpha 0.001 0.1054 0.2086
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.4331 1
Echinococcus multilocularis lamin dm0 0.0029 0.4177 0.9018
Loa Loa (eye worm) hypothetical protein 0.0005 0.0215 0.0239
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.1054 0.2229
Schistosoma mansoni thyroid hormone receptor 0.001 0.1054 0.1054
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.1054 0.2086
Onchocerca volvulus 0.001 0.1054 0.2229
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0839 0.1719
Loa Loa (eye worm) hypothetical protein 0.0005 0.0215 0.0239
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.1054 0.2086
Brugia malayi Steroid receptor seven-up type 2 0.001 0.1054 0.2229
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.1054 0.1054
Loa Loa (eye worm) hypothetical protein 0.001 0.1054 0.2229
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0819 0.1672
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.1054 0.2229
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.1054 0.2229
Schistosoma mansoni ferritin light chain 0.0009 0.0767 0.0767
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.1054 0.2229
Schistosoma mansoni zinc finger protein 0.0005 0.0114 0.0114
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0215 0.0239
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.1054 0.2229
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.1054 0.2229
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0005 0.0114 0.0114
Onchocerca volvulus 0.003 0.4331 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.1054 0.2229
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.1641 0.3388
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0215 0.0223
Schistosoma mansoni ferritin 0.0009 0.0767 0.0767
Loa Loa (eye worm) hypothetical protein 0.0005 0.0215 0.0239
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.1054 0.2086
Schistosoma mansoni cpg binding protein 0.0031 0.4619 0.4619
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.1054 0.2086
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.4177 0.9634
Brugia malayi nuclear hormone receptor 0.001 0.1054 0.2229
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.1054 0.2229
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.1054 0.2086
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.1054 0.1054
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.1054 0.2086
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.1054 0.2229
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.1054 0.1054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.1054 0.2229
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.1054 0.2086
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.1054 0.2086
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.1054 0.2229
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.1054 0.1054
Loa Loa (eye worm) hypothetical protein 0.0005 0.0215 0.0239
Onchocerca volvulus Bile acid receptor homolog 0.001 0.1054 0.2229
Echinococcus granulosus cpg binding protein 0.0031 0.4619 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0531 0.0925
Loa Loa (eye worm) hypothetical protein 0.001 0.1054 0.2229
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.1054 0.2086
Schistosoma mansoni intermediate filament proteins 0.0029 0.4177 0.4177
Echinococcus granulosus expressed protein 0.0009 0.0767 0.145
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.1054 0.2086
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.1054 0.1054
Loa Loa (eye worm) steroid hormone receptor 0.001 0.1054 0.2229
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.1054 0.1054
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.1641 0.3388
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0767 0.5
Schistosoma mansoni ferritin 0.0009 0.0767 0.0767
Schistosoma mansoni nuclear receptor 0.0005 0.0114 0.0114
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0531 0.0925
Echinococcus granulosus FTZ F1 alpha 0.001 0.1054 0.2086
Schistosoma mansoni ferritin light chain 0.0009 0.0767 0.0767
Brugia malayi intermediate filament protein 0.0029 0.4177 0.9634
Loa Loa (eye worm) hypothetical protein 0.0013 0.1551 0.3407
Schistosoma mansoni cpg binding protein 0.0031 0.4619 0.4619
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.4177 0.9634
Schistosoma mansoni coup transcription factor 0.001 0.1054 0.1054
Echinococcus granulosus ferritin 0.0009 0.0767 0.145
Schistosoma mansoni nuclear hormone receptor 0.001 0.1054 0.1054
Brugia malayi nuclear receptor RXR 0.0005 0.0215 0.0239
Loa Loa (eye worm) hypothetical protein 0.0013 0.1551 0.3407
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.1054 0.2229
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0.0767 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.1054 0.1054
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0215 0.0223
Loa Loa (eye worm) intermediate filament protein 0.0029 0.4177 0.9634
Schistosoma mansoni nuclear receptor nhr-48 0.0005 0.0114 0.0114
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.1054 0.2229
Brugia malayi CXXC zinc finger family protein 0.003 0.4331 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.1054 0.2229
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.1054 0.2086
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.1054 0.2086
Echinococcus multilocularis musashi 0.0029 0.4177 0.9018
Onchocerca volvulus 0.0029 0.4177 0.9634
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.1054 0.2229
Schistosoma mansoni apoferritin-2 0.0009 0.0767 0.0767
Loa Loa (eye worm) hypothetical protein 0.0029 0.4177 0.9634
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.1901 0.4237
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.8854 0.5
Schistosoma mansoni apoferritin-2 0.0009 0.0767 0.0767
Schistosoma mansoni ferritin 0.0009 0.0767 0.0767
Echinococcus granulosus lamin dm0 0.0029 0.4177 0.9018
Loa Loa (eye worm) hypothetical protein 0.001 0.1054 0.2229
Echinococcus multilocularis ferritin 0.0009 0.0767 0.145
Loa Loa (eye worm) hypothetical protein 0.001 0.1054 0.2229
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0531 0.0531
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.0767 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0215 0.0239
Echinococcus multilocularis expressed protein 0.0009 0.0767 0.145
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0.0767 0.5
Trichomonas vaginalis ferritin, putative 0.0009 0.0767 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.1054 0.2086
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0531 0.0925
Loa Loa (eye worm) hypothetical protein 0.0014 0.1641 0.362
Echinococcus granulosus lamin 0.0029 0.4177 0.9018
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0531 0.0925
Brugia malayi hypothetical protein 0.0005 0.0215 0.0239
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0114 0.0114
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.1054 0.2229
Brugia malayi ecdysteroid receptor 0.001 0.1054 0.2229
Loa Loa (eye worm) hypothetical protein 0.001 0.1054 0.2229
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0839 0.1609
Brugia malayi hypothetical protein 0.0005 0.0215 0.0239
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0.0767 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0839 0.1609
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.1054 0.2229
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.1054 0.2229
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.1054 0.2229
Schistosoma mansoni thyroid hormone receptor 0.001 0.1054 0.1054
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.1901 0.4237

Activities

No activities found for this compound.

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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