TDR Targets

Basic information

Technical information

TDR Targets ID: 827947
Name: 6-[(4-fluorophenyl)methyl]-8-(4-methylbenzoyl )-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-o ne
MW: 429.44 | Formula: C26H20FNO4
H donors: 0 H acceptors: 2 LogP: 4.92 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)C(=O)c1cn(Cc2ccc(cc2)F)c2c(c1=O)cc1c(c2)OCCO1
InChi: 1S/C26H20FNO4/c1-16-2-6-18(7-3-16)25(29)21-15-28(14-17-4-8-19(27)9-5-17)22-13-24-23(31-10-11-32-24)12-20(22)26(21)30/h2-9,12-13,15H,10-11,14H2,1H3
InChiKey: ZOWNKVGYCPTEBF-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

6-[(4-fluorophenyl)methyl]-8-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
6-(4-fluorobenzyl)-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
6-[(4-fluorophenyl)methyl]-8-(4-methylphenyl)carbonyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	TK/INSR protein kinase	0.0377	0.2762	0.3023
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0248	0.1763	0.1939
Trichomonas vaginalis	AGC family protein kinase	0.0119	0.0762	0.1778
Toxoplasma gondii	lactate dehydrogenase LDH1	0.0639	0.4797	1
Chlamydia trachomatis	malate dehydrogenase	0.0248	0.1763	0.5
Entamoeba histolytica	malate dehydrogenase, putative	0.0248	0.1763	0.2864
Echinococcus granulosus	lactate dehydrogenase a	0.0639	0.4797	0.5292
Trichomonas vaginalis	malate dehydrogenase, putative	0.0121	0.0774	0.1874
Echinococcus multilocularis	roundabout 2	0.0031	0.0074	0.0055
Trypanosoma cruzi	aurora B kinase, putative	0.0119	0.0762	0.1778
Schistosoma mansoni	cell adhesion molecule	0.0026	0.0035	0.0035
Leishmania major	cytosolic malate dehydrogenase	0.0248	0.1763	0.2864
Mycobacterium tuberculosis	Probable malate dehydrogenase Mdh	0.0248	0.1763	0.5
Echinococcus granulosus	malate dehydrogenase	0.0248	0.1763	0.1939
Trypanosoma brucei	malate dehydrogenase-related	0.0248	0.1763	1
Entamoeba histolytica	protein kinase, putative	0.0119	0.0762	0.0509
Brugia malayi	serine/threonine protein kinase 6	0.0119	0.0762	0.0254
Leishmania major	protein kinase, putative	0.0119	0.0762	0.0509
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0119	0.0762	0.0509
Giardia lamblia	Aurora kinase	0.0119	0.0762	0.1778
Echinococcus granulosus	lactate dehydrogenase a	0.0639	0.4797	0.5292
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0248	0.1763	1
Loa Loa (eye worm)	TK/EGFR protein kinase	0.1187	0.9056	1
Onchocerca volvulus	Tyrosine kinase homolog	0.0305	0.2203	1
Loa Loa (eye worm)	AUR protein kinase	0.0119	0.0762	0.0806
Trichomonas vaginalis	malate dehydrogenase, putative	0.0248	0.1763	1
Trypanosoma brucei	mitochondrial malate dehydrogenase	0.0248	0.1763	1
Echinococcus multilocularis		0.0533	0.3977	0.4377
Echinococcus multilocularis	malate dehydrogenase	0.0248	0.1763	0.1925
Echinococcus multilocularis	malate dehydrogenase	0.0248	0.1763	0.1925
Trichomonas vaginalis	malate dehydrogenase, putative	0.0248	0.1763	1
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0248	0.1763	1
Trichomonas vaginalis	AGC family protein kinase	0.0119	0.0762	0.1778
Schistosoma mansoni	tyrosine kinase	0.0742	0.5599	0.5599
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0248	0.1763	1
Plasmodium falciparum	malate dehydrogenase	0.0639	0.4797	1
Toxoplasma gondii	malate dehydrogenase MDH	0.0639	0.4797	1
Echinococcus granulosus	cyclin dependent kinase 1	0.0092	0.0545	0.0593
Trypanosoma cruzi	mitochondrial malate dehydrogenase, putative	0.0248	0.1763	1
Giardia lamblia	Malate dehydrogenase	0.0248	0.1763	1
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0119	0.0762	0.0817
Brugia malayi	Malate dehydrogenase, cytoplasmic	0.0248	0.1763	0.1431
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0119	0.0762	0.0509
Echinococcus granulosus	insulin receptor	0.0377	0.2762	0.3043
Plasmodium falciparum	lactate dehydrogenase, putative	0.0248	0.1763	0.2864
Echinococcus granulosus	epidermal growth factor receptor	0.0752	0.5677	0.6265
Trypanosoma cruzi	malate dehydrogenase, putative	0.0248	0.1763	1
Schistosoma mansoni	tyrosine kinase	0.0377	0.2762	0.2762
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0248	0.1763	0.1925
Echinococcus granulosus	cyclin dependent kinase 5	0.0092	0.0545	0.0593
Schistosoma mansoni	tyrosine kinase	0.0742	0.5599	0.5599
Plasmodium falciparum	L-lactate dehydrogenase	0.0639	0.4797	1
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0248	0.1763	1
Echinococcus granulosus	malate dehydrogenase	0.0248	0.1763	0.1939
Mycobacterium ulcerans	malate dehydrogenase	0.0248	0.1763	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0119	0.0762	0.1778
Brugia malayi	serine/threonine kinase 12	0.0119	0.0762	0.0254
Schistosoma mansoni	malate dehydrogenase	0.0248	0.1763	0.1763
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0092	0.0545	0.0566
Schistosoma mansoni	malate dehydrogenase	0.0248	0.1763	0.1763
Loa Loa (eye worm)	hypothetical protein	0.009	0.053	0.0549
Trichomonas vaginalis	malate dehydrogenase, putative	0.0248	0.1763	1
Echinococcus granulosus	lactate dehydrogenase protein	0.0639	0.4797	0.5292
Leishmania major	malate dehydrogenase	0.0248	0.1763	0.2864
Leishmania major	mitochondrial malate dehydrogenase	0.0248	0.1763	0.2864
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0074	0.0043
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0119	0.0762	0.0832
Schistosoma mansoni	malate dehydrogenase	0.0248	0.1763	0.1763
Loa Loa (eye worm)	AUR protein kinase	0.0119	0.0762	0.0806
Echinococcus granulosus	epidermal growth factor receptor	0.1187	0.9056	1
Brugia malayi	Probable malate dehydrogenase, mitochondrial precursor	0.0248	0.1763	0.1431
Echinococcus multilocularis	lactate dehydrogenase a	0.0639	0.4797	0.5284
Schistosoma mansoni	nephrin	0.0025	0.0024	0.0024
Echinococcus granulosus	neuroglian	0.0025	0.0024	0.0017
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0248	0.1763	1
Schistosoma mansoni	tyrosine kinase	0.0742	0.5599	0.5599
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0248	0.1763	0.1925
Echinococcus multilocularis	cyclin dependent kinase 1	0.0092	0.0545	0.0577
Schistosoma mansoni	tyrosine kinase	0.1187	0.9056	0.9056
Echinococcus multilocularis	lactate dehydrogenase a	0.0639	0.4797	0.5284
Leishmania major	malate dehydrogenase, putative	0.0639	0.4797	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0326	0.2366	0.2584
Trichomonas vaginalis	malate dehydrogenase, putative	0.0121	0.0774	0.1874
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0238	0.1682	0.1682
Plasmodium vivax	malate dehydrogenase, putative	0.0639	0.4797	1
Loa Loa (eye worm)	malate dehydrogenase	0.0248	0.1763	0.1916
Echinococcus granulosus	L lactate dehydrogenase B chain	0.0639	0.4797	0.5292
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0248	0.1763	0.1939
Toxoplasma gondii	aurora kinase	0.0119	0.0762	0.0509
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0119	0.0762	0.0509
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0248	0.1763	1
Brugia malayi	lactate dehydrogenase.	0.0639	0.4797	0.4996
Trypanosoma brucei	cytosolic malate dehydrogenase	0.0248	0.1763	1
Echinococcus granulosus	L lactate dehydrogenase	0.039	0.2868	0.316
Schistosoma mansoni	serine/threonine protein kinase	0.0119	0.0762	0.0762
Schistosoma mansoni	malate dehydrogenase	0.0639	0.4797	0.4797
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0248	0.1763	1
Schistosoma mansoni	tyrosine kinase	0.0752	0.5677	0.5677
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0074	0.0043
Echinococcus multilocularis	insulin receptor	0.0377	0.2762	0.3032
Schistosoma mansoni	tyrosine kinase	0.0752	0.5677	0.5677
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0377	0.2762	0.3043
Echinococcus multilocularis	epidermal growth factor receptor	0.1187	0.9056	1
Brugia malayi	Furin-like cysteine rich region family protein	0.1187	0.9056	1
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0026	0.0035	0.0029
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0326	0.2366	0.2139
Entamoeba histolytica	protein kinase, putative	0.0119	0.0762	0.0509
Entamoeba histolytica	protein kinase , putative	0.0119	0.0762	0.0509
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0752	0.5677	0.6265
Echinococcus granulosus	aurora kinase A	0.0119	0.0762	0.0832
Trichomonas vaginalis	malate dehydrogenase, putative	0.0248	0.1763	1
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0119	0.0762	0.0509
Echinococcus multilocularis	aurora kinase A	0.0119	0.0762	0.0817
Schistosoma mansoni	protein kinase	0.0119	0.0762	0.0762
Mycobacterium leprae	PROBABLE MALATE DEHYDROGENASE MDH	0.0248	0.1763	0.5
Echinococcus multilocularis	cyclin dependent kinase 1	0.0092	0.0545	0.0577
Echinococcus multilocularis	cyclin dependent kinase	0.0092	0.0545	0.0577
Loa Loa (eye worm)	AUR protein kinase	0.0119	0.0762	0.0806
Wolbachia endosymbiont of Brugia malayi	malate dehydrogenase	0.0639	0.4797	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0119	0.0762	0.0509
Schistosoma mansoni	L-lactate dehydrogenase	0.0639	0.4797	0.4797
Leishmania major	malate dehydrogenase, putative	0.0248	0.1763	0.2864
Trichomonas vaginalis	malate dehydrogenase, putative	0.0248	0.1763	1
Echinococcus multilocularis	lactate dehydrogenase a	0.0639	0.4797	0.5284
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0092	0.0545	0.0566
Trypanosoma brucei	glycosomal malate dehydrogenase	0.0248	0.1763	1
Brugia malayi	Protein kinase domain containing protein	0.0377	0.2762	0.2605
Trichomonas vaginalis	malate dehydrogenase, putative	0.0248	0.1763	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0248	0.1763	1
Echinococcus multilocularis	epidermal growth factor receptor	0.0752	0.5677	0.6259
Loa Loa (eye worm)	hypothetical protein	0.0639	0.4797	0.5279
Entamoeba histolytica	malate dehydrogenase,cytoplasmic, putative	0.0248	0.1763	0.2864
Schistosoma mansoni	serine/threonine protein kinase	0.0092	0.0545	0.0545
Schistosoma mansoni	L-lactate dehydrogenase	0.0248	0.1763	0.1763
Trypanosoma cruzi	malate dehydrogenase, putative	0.0248	0.1763	1
Trichomonas vaginalis	AGC family protein kinase	0.0119	0.0762	0.1778
Echinococcus multilocularis	L lactate dehydrogenase	0.039	0.2868	0.3148
Toxoplasma gondii	lactate dehydrogenase LDH2	0.0639	0.4797	1
Echinococcus multilocularis	cyclin dependent kinase 5	0.0092	0.0545	0.0577
Leishmania major	glycosomal malate dehydrogenase	0.0248	0.1763	0.2864
Echinococcus granulosus	twitchin	0.0026	0.0039	0.0034
Trichomonas vaginalis	malate dehydrogenase, putative	0.0248	0.1763	1
Brugia malayi	serine/threonine-protein kinase 6	0.0119	0.0762	0.0254
Schistosoma mansoni	tyrosine kinase	0.0377	0.2762	0.2762
Schistosoma mansoni	serine/threonine protein kinase	0.0092	0.0545	0.0545
Trypanosoma brucei	aurora B kinase	0.0119	0.0762	0.1778
Echinococcus multilocularis	L lactate dehydrogenase B chain	0.0639	0.4797	0.5284
Echinococcus granulosus	roundabout 2	0.0031	0.0074	0.0072
Loa Loa (eye worm)	malate dehydrogenase	0.0248	0.1763	0.1916
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0092	0.0545	0.0566
Plasmodium vivax	lactate/malate dehydrogenase, putative	0.0248	0.1763	0.2864
Trichomonas vaginalis	malate dehydrogenase, putative	0.0248	0.1763	1
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0119	0.0762	0.0509
Echinococcus granulosus	cyclin dependent kinase	0.0092	0.0545	0.0593
Plasmodium vivax	lactate dehydrogenase	0.0639	0.4797	1
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0248	0.1763	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0248	0.1763	1
Entamoeba histolytica	malate dehydrogenase, putative	0.0639	0.4797	1
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0377	0.2762	0.3032
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0092	0.0545	0.0593
Trichomonas vaginalis	malate dehydrogenase, putative	0.0248	0.1763	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0248	0.1763	1
Echinococcus multilocularis	lactate dehydrogenase protein	0.0639	0.4797	0.5284

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 827947