Detailed information for compound 827907

Basic information

Technical information
  • TDR Targets ID: 827907
  • Name: 5-[(4-fluorophenyl)methyl]-7-(4-methylbenzoyl )-[1,3]dioxolo[4,5-g]quinolin-8-one
  • MW: 415.413 | Formula: C25H18FNO4
  • H donors: 0 H acceptors: 2 LogP: 5.02 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(=O)c1cn(Cc2ccc(cc2)F)c2c(c1=O)cc1c(c2)OCO1
  • InChi: 1S/C25H18FNO4/c1-15-2-6-17(7-3-15)24(28)20-13-27(12-16-4-8-18(26)9-5-16)21-11-23-22(30-14-31-23)10-19(21)25(20)29/h2-11,13H,12,14H2,1H3
  • InChiKey: GLXMWKOTUWQOPQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(4-fluorophenyl)methyl]-7-[(4-methylphenyl)-oxomethyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
  • 5-(4-fluorobenzyl)-7-(4-methylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-one
  • 5-[(4-fluorophenyl)methyl]-7-(4-methylphenyl)carbonyl-[1,3]dioxolo[4,5-g]quinolin-8-one
  • ZINC02689912

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 NADPH-dependent mycothiol reductase Mtr 0.0049 0.254 0.2985
Echinococcus multilocularis histone deacetylase 6 0.0078 0.4535 0.8361
Echinococcus multilocularis histone deacetylase 0.0078 0.4535 0.8361
Echinococcus granulosus histone deacetylase 6 0.009 0.5362 1
Trypanosoma brucei histone deacetylase, putative 0.0078 0.4535 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.6906 0.8837
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0023 0.0756 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0313 0.5
Echinococcus granulosus histone deacetylase 6 0.0078 0.4535 0.8361
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0125 0.7773 1
Trichomonas vaginalis histone deacetylase, putative 0.0023 0.0756 1
Schistosoma mansoni histone deacetylase 4 5 0.0078 0.4535 0.4358
Brugia malayi Thioredoxin reductase 0.0049 0.254 0.5602
Brugia malayi glutathione reductase 0.0049 0.254 0.5602
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.6906 0.8837
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.254 0.5275
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0023 0.0756 1
Giardia lamblia Histone deacetylase 0.0023 0.0756 1
Brugia malayi Histone deacetylase 1 0.0023 0.0756 0.1668
Leishmania major histone deacetylase, putative 0.0023 0.0756 0.105
Echinococcus granulosus histone deacetylase 3 0.0023 0.0756 0.0878
Leishmania major trypanothione reductase 0.0049 0.254 0.5275
Schistosoma mansoni histone deacetylase 0.0023 0.0756 0.0457
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0313 0.5
Schistosoma mansoni histone deacetylase 4 5 0.0078 0.4535 0.4358
Plasmodium vivax histone deacetylase 2, putative 0.0078 0.4535 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0023 0.0756 0.105
Brugia malayi Histone deacetylase family protein 0.0078 0.4535 1
Entamoeba histolytica histone deacetylase, putative 0.0023 0.0756 0.5
Trypanosoma brucei histone deacetylase 3 0.0078 0.4535 1
Echinococcus multilocularis histone deacetylase 6 0.009 0.5362 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.2911 0.5702
Trypanosoma brucei histone deacetylase 4 0.0078 0.4535 1
Mycobacterium tuberculosis Probable reductase 0.0112 0.6906 0.8837
Toxoplasma gondii histone deacetylase HDAC1 0.0078 0.4535 1
Echinococcus multilocularis histone deacetylase 7 0.0078 0.4535 0.8361
Toxoplasma gondii histone deacetylase HDAC4 0.0023 0.0756 0.105
Loa Loa (eye worm) histone deacetylase 7A 0.0078 0.4535 1
Toxoplasma gondii histone deacetylase HDAC3 0.0023 0.0756 0.105
Onchocerca volvulus Histone deacetylase 10 homolog 0.0023 0.0756 0.5
Toxoplasma gondii histone deacetylase HDAC5 0.0023 0.0756 0.105
Trichomonas vaginalis histone deacetylase, putative 0.0023 0.0756 1
Plasmodium falciparum thioredoxin reductase 0.0049 0.254 0.5275
Echinococcus multilocularis histone deacetylase 6 0.0078 0.4535 0.8361
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.254 0.4721
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0313 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.3738 0.7892
Toxoplasma gondii histone deacetylase HDAC2 0.0023 0.0756 0.105
Echinococcus granulosus histone deacetylase 7 0.0078 0.4535 0.8361
Plasmodium vivax histone deacetylase, putative 0.0078 0.4535 1
Schistosoma mansoni histone deacetylase hda2 0.009 0.5362 0.5212
Trypanosoma brucei trypanothione reductase 0.0049 0.254 0.5275
Trypanosoma brucei histone deacetylase 1 0.0023 0.0756 0.105
Trypanosoma cruzi histone deacetylase 1, putative 0.0023 0.0756 0.105
Treponema pallidum NADH oxidase 0.0017 0.0313 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0023 0.0756 1
Leishmania major histone deacetylase, putative 0.0078 0.4535 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0125 0.7773 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.6906 0.8837
Echinococcus multilocularis histone deacetylase 1 0.0023 0.0756 0.0878
Trichomonas vaginalis histone deacetylase, putative 0.0023 0.0756 1
Echinococcus multilocularis histone deacetylase 3 0.0023 0.0756 0.0878
Schistosoma mansoni histone deacetylase hda2 0.0023 0.0756 0.0457
Plasmodium falciparum histone deacetylase 1 0.0023 0.0756 0.105
Plasmodium vivax glutathione reductase, putative 0.0049 0.254 0.5275
Trypanosoma brucei histone deacetylase 2 0.0023 0.0756 0.105
Brugia malayi histone deacetylase 11 0.0023 0.0756 0.1668
Brugia malayi histone deacetylase 3 (HD3) 0.0023 0.0756 0.1668
Trypanosoma cruzi histone deacetylase, putative 0.0023 0.0756 0.105
Loa Loa (eye worm) histone deacetylase 0.0078 0.4535 1
Leishmania major histone deacetylase, putative 0.0023 0.0756 0.105
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.254 0.4411
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0313 0.5
Schistosoma mansoni histone deacetylase 1 2 3 0.0023 0.0756 0.0457
Schistosoma mansoni histone deacetylase 0.0023 0.0756 0.0457
Trypanosoma cruzi histone deacetylase, putative 0.0078 0.4535 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.254 0.4411
Mycobacterium tuberculosis Probable oxidoreductase 0.0125 0.7773 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.6906 0.8837
Plasmodium falciparum histone deacetylase, putative 0.0078 0.4535 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.6906 0.8837
Echinococcus granulosus histone deacetylase 1 0.0023 0.0756 0.0878
Loa Loa (eye worm) glutathione reductase 0.0049 0.254 0.4721
Echinococcus multilocularis histone deacetylase 8 0.0023 0.0756 0.0878
Trichomonas vaginalis histone deacetylase, putative 0.0023 0.0756 1
Trichomonas vaginalis histone deacetylase, putative 0.0023 0.0756 1
Leishmania major histone deacetylase, putative 0.0078 0.4535 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0313 0.5
Brugia malayi Histone deacetylase family protein 0.0078 0.4535 1
Echinococcus granulosus histone deacetylase 0.0078 0.4535 0.8361
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0313 0.5
Plasmodium vivax histone deacetylase, putative 0.0023 0.0756 0.105
Trypanosoma cruzi histone deacetylase, putative 0.0023 0.0756 0.105
Trichomonas vaginalis histone deacetylase, putative 0.0023 0.0756 1
Plasmodium vivax histone deacetylase 1, putative 0.0023 0.0756 0.105
Toxoplasma gondii thioredoxin reductase 0.0049 0.254 0.5275
Plasmodium falciparum histone deacetylase 2 0.0078 0.4535 1
Trypanosoma cruzi histone deacetylase, putative 0.0078 0.4535 1
Echinococcus granulosus histone deacetylase 8 0.0023 0.0756 0.0878
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0313 0.0691
Brugia malayi histone deacetylase 1 (HD1) 0.0023 0.0756 0.1668
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0125 0.7773 1
Trypanosoma cruzi histone deacetylase, putative 0.0078 0.4535 1
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.254 0.5275
Plasmodium falciparum glutathione reductase 0.0049 0.254 0.5275
Echinococcus granulosus histone deacetylase 6 0.0078 0.4535 0.8361

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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