TDR Targets

Basic information

Technical information

TDR Targets ID: 827949
Name: 6,8-difluoro-1-[(4-fluorophenyl)methyl]-3-(4- methoxybenzoyl)quinolin-4-one
MW: 423.384 | Formula: C24H16F3NO3
H donors: 0 H acceptors: 2 LogP: 5.01 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C(=O)c1cn(Cc2ccc(cc2)F)c2c(c1=O)cc(cc2F)F
InChi: 1S/C24H16F3NO3/c1-31-18-8-4-15(5-9-18)23(29)20-13-28(12-14-2-6-16(25)7-3-14)22-19(24(20)30)10-17(26)11-21(22)27/h2-11,13H,12H2,1H3
InChiKey: JFXUIVGKMDOZCH-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

6,8-difluoro-1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-oxomethyl]-4-quinolinone
6,8-difluoro-1-(4-fluorobenzyl)-3-(4-methoxybenzoyl)-4-quinolone
6,8-difluoro-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)carbonyl-quinolin-4-one
C567-0550
NCGC00110160-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873

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
Trichomonas vaginalis	malate dehydrogenase, putative	0.0171	0.0925	1
Loa Loa (eye worm)	RNA binding protein	0.0076	0.015	0.0085
Schistosoma mansoni	malate dehydrogenase	0.0171	0.0925	0.0925
Trichomonas vaginalis	malate dehydrogenase, putative	0.0171	0.0925	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0171	0.0925	1
Echinococcus granulosus	malate dehydrogenase	0.0171	0.0925	0.1986
Echinococcus multilocularis	L lactate dehydrogenase	0.0269	0.1729	0.3929
Toxoplasma gondii	malate dehydrogenase MDH	0.044	0.3132	0.5
Echinococcus multilocularis	lactate dehydrogenase a	0.044	0.3132	0.7322
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.015	0.0272
Loa Loa (eye worm)	hypothetical protein	0.044	0.3132	0.5615
Loa Loa (eye worm)	hypothetical protein	0.0153	0.0779	0.1252
Trichomonas vaginalis	malate dehydrogenase, putative	0.0171	0.0925	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.015	0.015
Chlamydia trachomatis	malate dehydrogenase	0.0171	0.0925	0.5
Brugia malayi	RNA binding protein	0.0076	0.015	0.0272
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.1864	0.4257
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0171	0.0925	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.015	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0286	0.1864	0.3265
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.015	0.015
Echinococcus granulosus	lactate dehydrogenase a	0.044	0.3132	0.7322
Trypanosoma brucei	mitochondrial malate dehydrogenase	0.0171	0.0925	0.5
Onchocerca volvulus		0.0058	0	0.5
Trichomonas vaginalis	malate dehydrogenase, putative	0.0171	0.0925	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0171	0.0925	1
Brugia malayi	TAR-binding protein	0.0076	0.015	0.0272
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.015	0.0085
Schistosoma mansoni	L-lactate dehydrogenase	0.0171	0.0925	0.0925
Trypanosoma brucei	cytosolic malate dehydrogenase	0.0171	0.0925	0.5
Schistosoma mansoni	L-lactate dehydrogenase	0.044	0.3132	0.3132
Echinococcus granulosus	lactate dehydrogenase a	0.044	0.3132	0.7322
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.015	0.0111
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0171	0.0925	0.1986
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.015	0.015
Brugia malayi	hypothetical protein	0.0286	0.1864	0.3392
Echinococcus granulosus	L lactate dehydrogenase	0.0269	0.1729	0.3929
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0575	0.4239	1
Leishmania major	malate dehydrogenase, putative	0.044	0.3132	1
Mycobacterium tuberculosis	Probable malate dehydrogenase Mdh	0.0171	0.0925	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.015	0.015
Plasmodium vivax	lactate dehydrogenase	0.044	0.3132	1
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0171	0.0925	1
Trypanosoma cruzi	malate dehydrogenase, putative	0.0171	0.0925	0.5
Echinococcus multilocularis	malate dehydrogenase	0.0171	0.0925	0.1986
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0224	0.136	0.233
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0171	0.0925	0.5
Plasmodium falciparum	L-lactate dehydrogenase	0.044	0.3132	1
Trypanosoma cruzi	mitochondrial malate dehydrogenase, putative	0.0171	0.0925	0.5
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0171	0.0925	1
Wolbachia endosymbiont of Brugia malayi	malate dehydrogenase	0.044	0.3132	0.5
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0171	0.0925	0.5
Plasmodium falciparum	malate dehydrogenase	0.044	0.3132	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0071	0.0104	0.0189
Entamoeba histolytica	malate dehydrogenase, putative	0.044	0.3132	1
Echinococcus multilocularis	L lactate dehydrogenase B chain	0.044	0.3132	0.7322
Brugia malayi	Latrophilin receptor protein 2	0.0071	0.0104	0.0189
Mycobacterium leprae	PROBABLE MALATE DEHYDROGENASE MDH	0.0171	0.0925	0.5
Schistosoma mansoni	malate dehydrogenase	0.0171	0.0925	0.0925
Echinococcus multilocularis	lactate dehydrogenase a	0.044	0.3132	0.7322
Echinococcus granulosus	tar DNA binding protein	0.0076	0.015	0.0111
Echinococcus multilocularis	lactate dehydrogenase a	0.044	0.3132	0.7322
Trichomonas vaginalis	malate dehydrogenase, putative	0.0171	0.0925	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0171	0.0925	1
Loa Loa (eye worm)	malate dehydrogenase	0.0171	0.0925	0.1524
Trichomonas vaginalis	malate dehydrogenase, putative	0.0171	0.0925	1
Schistosoma mansoni	malate dehydrogenase	0.0171	0.0925	0.0925
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.1864	0.4257
Schistosoma mansoni	hypothetical protein	0.0071	0.0104	0.0104
Trichomonas vaginalis	malate dehydrogenase, putative	0.0171	0.0925	1
Schistosoma mansoni	hypothetical protein	0.0071	0.0104	0.0104
Schistosoma mansoni	hypothetical protein	0.0153	0.0779	0.0779
Plasmodium vivax	malate dehydrogenase, putative	0.044	0.3132	1
Giardia lamblia	Malate dehydrogenase	0.0171	0.0925	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0575	0.4239	1
Trypanosoma cruzi	malate dehydrogenase, putative	0.0171	0.0925	0.5
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0171	0.0925	1
Schistosoma mansoni	hypothetical protein	0.0071	0.0104	0.0104
Brugia malayi	Malate dehydrogenase, cytoplasmic	0.0171	0.0925	0.1684
Toxoplasma gondii	lactate dehydrogenase LDH1	0.044	0.3132	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0728	0.5496	1
Trypanosoma brucei	glycosomal malate dehydrogenase	0.0171	0.0925	0.5
Echinococcus granulosus	L lactate dehydrogenase B chain	0.044	0.3132	0.7322
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0171	0.0925	0.1986
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0171	0.0925	0.1986
Toxoplasma gondii	lactate dehydrogenase LDH2	0.044	0.3132	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0224	0.136	0.2475
Schistosoma mansoni	malate dehydrogenase	0.044	0.3132	0.3132
Loa Loa (eye worm)	malate dehydrogenase	0.0171	0.0925	0.1524
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0171	0.0925	0.5
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0171	0.0925	0.5
Loa Loa (eye worm)	hypothetical protein	0.0728	0.5496	1
Brugia malayi	Probable malate dehydrogenase, mitochondrial precursor	0.0171	0.0925	0.1684
Echinococcus multilocularis	malate dehydrogenase	0.0171	0.0925	0.1986
Echinococcus granulosus	malate dehydrogenase	0.0171	0.0925	0.1986
Mycobacterium ulcerans	malate dehydrogenase	0.0171	0.0925	0.5
Echinococcus granulosus	lactate dehydrogenase protein	0.044	0.3132	0.7322
Trichomonas vaginalis	malate dehydrogenase, putative	0.0171	0.0925	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0153	0.0779	0.1417
Echinococcus multilocularis	lactate dehydrogenase protein	0.044	0.3132	0.7322
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0171	0.0925	0.1986
Brugia malayi	lactate dehydrogenase.	0.044	0.3132	0.5698
Trypanosoma brucei	malate dehydrogenase-related	0.0171	0.0925	0.5
Schistosoma mansoni	hypothetical protein	0.0071	0.0104	0.0104
Trichomonas vaginalis	malate dehydrogenase, putative	0.0171	0.0925	1
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0232	0.1427	0.1427
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.015	0.015

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.2512 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.4668 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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

ChEMBL: CHEMBL1513329
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 827949