Detailed information for compound 786776

Basic information

Technical information
  • TDR Targets ID: 786776
  • Name: 9-(2-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4 ]dioxino[2,3-g]quinolin-7-one
  • MW: 295.332 | Formula: C18H17NO3
  • H donors: 1 H acceptors: 1 LogP: 2.6 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2cc3OCCOc3cc2C(C1)c1ccccc1C
  • InChi: 1S/C18H17NO3/c1-11-4-2-3-5-12(11)13-9-18(20)19-15-10-17-16(8-14(13)15)21-6-7-22-17/h2-5,8,10,13H,6-7,9H2,1H3,(H,19,20)
  • InChiKey: PWPGZFDVAMEQPQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 9-o-Tolyl-2,3,8,9-tetrahydro-6H-[1,4]dioxino[2,3-g]quinolin-7-one
  • BAS 09589522
  • IVK/2007380

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
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0816 0.0772
Loa Loa (eye worm) hypothetical protein 0.0183 0.4564 0.862
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0094 0.0047
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1258 1
Mycobacterium ulcerans hypothetical protein 0.0154 0.3825 1
Echinococcus granulosus Smad4 0.0008 0.0094 0.0047
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0444 0.0398
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0444 0.0398
Schistosoma mansoni Smad4 0.0008 0.0094 0.0081
Entamoeba histolytica hypothetical protein 0.0036 0.0816 1
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0048 0.0034
Brugia malayi RasGEF domain containing protein 0.0006 0.0048 0.009
Brugia malayi DIX domain containing protein 0.0009 0.0114 0.0215
Schistosoma mansoni smad1 5 8 and 0.0008 0.0094 0.0081
Schistosoma mansoni dishevelled 0.0009 0.0114 0.01
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0673 0.066
Echinococcus multilocularis cpg binding protein 0.0029 0.0634 0.0589
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0114 0.0066
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0094 0.0178
Brugia malayi hypothetical protein 0.0036 0.0816 0.1541
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0673 0.0628
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0132 0.0084
Schistosoma mansoni cpg binding protein 0.0028 0.0594 0.0581
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0022 0.0444 0.0838
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0088 0.0041
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0114 0.0215
Echinococcus multilocularis dnaJ subfamily B 0.0395 1 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0114 0.0215
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0114 0.0066
Brugia malayi MH2 domain containing protein 0.0008 0.0094 0.0178
Loa Loa (eye worm) hypothetical protein 0.0006 0.0048 0.009
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0183 0.4564 0.7536
Brugia malayi CXXC zinc finger family protein 0.0028 0.0594 0.1121
Brugia malayi MH2 domain containing protein 0.0008 0.0094 0.0178
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0114 0.0066
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0114 0.0066
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0094 0.0047
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0154 0.3825 0.6305
Trypanosoma cruzi hypothetical protein 0.0006 0.0048 0.5
Trichomonas vaginalis set domain proteins, putative 0.0241 0.6041 1
Brugia malayi N-terminal motif family protein 0.0006 0.0048 0.009
Plasmodium falciparum ornithine aminotransferase 0.0022 0.0444 0.5
Echinococcus multilocularis smad 0.0008 0.0094 0.0047
Brugia malayi N-terminal motif family protein 0.0183 0.4564 0.862
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0129 0.0243
Onchocerca volvulus 0.0241 0.6041 1
Onchocerca volvulus 0.0009 0.0114 0.011
Loa Loa (eye worm) hypothetical protein 0.0009 0.0114 0.0215
Loa Loa (eye worm) RasGEF domain-containing protein 0.0006 0.0048 0.009
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0673 0.066
Echinococcus granulosus cpg binding protein 0.0029 0.0634 0.0589
Schistosoma mansoni hypothetical protein 0.0395 1 1
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0114 0.0066
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0114 0.0066
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0114 0.0066
Echinococcus granulosus smad 0.0008 0.0094 0.0047
Brugia malayi MH1 domain containing protein 0.0008 0.0094 0.0178
Brugia malayi Pre-SET motif family protein 0.0211 0.5296 1
Loa Loa (eye worm) RasGEF domain-containing protein 0.0006 0.0048 0.009
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0673 0.066
Loa Loa (eye worm) hypothetical protein 0.0031 0.0673 0.1271
Mycobacterium tuberculosis Probable aminotransferase 0.0154 0.3825 1
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0022 0.0444 0.5
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0114 0.0066
Schistosoma mansoni hypothetical protein 0.0036 0.0816 0.0804
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0114 0.01
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0673 0.4889
Onchocerca volvulus 0.0031 0.0673 0.1043
Schistosoma mansoni cpg binding protein 0.0029 0.0634 0.0621
Brugia malayi MH1 domain containing protein 0.0008 0.0094 0.0178
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0006 0.0048 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0088 0.0041
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0006 0.0048 0.0034
Brugia malayi Smad1 0.0008 0.0094 0.0178
Onchocerca volvulus 0.0028 0.0594 0.0911
Echinococcus granulosus ornithine aminotransferase 0.0022 0.0444 0.0398
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0114 0.01
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0673 0.0628
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0114 0.01
Schistosoma mansoni ras GTP exchange factor 0.0006 0.0048 0.0034
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0048 0.0034
Schistosoma mansoni smad 0.0008 0.0094 0.0081
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0088 0.0075
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0154 0.3825 1
Schistosoma mansoni dishevelled 0.0009 0.0114 0.01
Schistosoma mansoni smad1 5 8 and 0.0008 0.0094 0.0081
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0094 0.0178
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0094 0.0047
Brugia malayi MH2 domain containing protein 0.0121 0.2979 0.5626
Schistosoma mansoni smad1 5 8 and 0.0008 0.0094 0.0081
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0114 0.0215
Entamoeba histolytica hypothetical protein 0.0036 0.0816 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0088 0.0041
Brugia malayi hypothetical protein 0.0009 0.0114 0.0215
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0114 0.0066
Loa Loa (eye worm) RasGEF domain-containing protein 0.0006 0.0048 0.009
Echinococcus multilocularis Smad4 0.0008 0.0094 0.0047
Entamoeba histolytica hypothetical protein 0.0036 0.0816 1
Brugia malayi hypothetical protein 0.0009 0.0114 0.0215
Brugia malayi RasGEF domain containing protein 0.0006 0.0048 0.009
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1419 0.1407
Loa Loa (eye worm) hypothetical protein 0.0006 0.0048 0.009
Echinococcus multilocularis Aminotransferase class III 0.0022 0.0444 0.0398
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0594 0.1121
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0006 0.0048 0.0006
Brugia malayi RasGEF domain containing protein 0.0006 0.0048 0.009
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.2979 0.5626
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0673 0.066
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0132 0.0084
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0114 0.0215
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0629 0.0584
Trichomonas vaginalis ras GTP exchange factor, putative 0.0006 0.0048 0.0006
Trypanosoma cruzi hypothetical protein 0.0006 0.0048 0.5
Schistosoma mansoni cpg binding protein 0.0029 0.0634 0.0621
Entamoeba histolytica hypothetical protein 0.0036 0.0816 1
Schistosoma mansoni dep domain containing protein 0.0009 0.0114 0.01
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0022 0.0444 0.5
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0114 0.011
Loa Loa (eye worm) Smad1 0.0008 0.0094 0.0178
Echinococcus granulosus Aminotransferase class III 0.0022 0.0444 0.0398
Plasmodium vivax SET domain protein, putative 0.0031 0.0673 1
Trichomonas vaginalis ras GTP exchange factor, putative 0.0006 0.0048 0.0006
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.2979 0.5626
Loa Loa (eye worm) histone methyltransferase 0.001 0.0132 0.0248
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0094 0.0047
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0816 0.0772
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0022 0.0444 0.0431
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0154 0.3825 1
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0022 0.0444 0.2885
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.5296 1
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0006 0.004 0.0026
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0088 0.0041
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0154 0.3825 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0114 0.0215
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0114 0.0215
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0048 0.0034
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0114 0.0215
Brugia malayi Pre-SET motif family protein 0.0031 0.0673 0.1271
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0114 0.0066
Brugia malayi N-terminal motif family protein 0.0006 0.0048 0.009
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0673 0.0628
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0816 0.0804
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0006 0.0048 0.0006
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0094 0.0081

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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