TDR Targets

Basic information

Technical information

TDR Targets ID: 803424
Name: 3-(4-methoxybenzoyl)-1H-quinolin-4-one
MW: 279.29 | Formula: C17H13NO3
H donors: 1 H acceptors: 3 LogP: 3.7 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C(=O)c1cnc2c(c1O)cccc2
InChi: 1S/C17H13NO3/c1-21-12-8-6-11(7-9-12)16(19)14-10-18-15-5-3-2-4-13(15)17(14)20/h2-10H,1H3,(H,18,20)
InChiKey: IGJKLOLUNGEJDE-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

3-[(4-methoxyphenyl)-oxomethyl]-1H-quinolin-4-one
3-(4-methoxybenzoyl)-4-quinolone
3-(4-methoxyphenyl)carbonyl-1H-quinolin-4-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
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0042	0.123	0.3286
Echinococcus granulosus	histone acetyltransferase KAT2B	0.014	0.5486	0.9365
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.1045	0.1708
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.1045	0.1845
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1045	0.1708
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1045	0.1708
Loa Loa (eye worm)	hypothetical protein	0.0148	0.5855	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.1045	0.1708
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0833	0.1343
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.1045	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1365	0.2259
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1365	0.241
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0456	0.0692
Loa Loa (eye worm)	hypothetical protein	0.0067	0.229	0.3854
Loa Loa (eye worm)	beta-lactamase	0.0038	0.1045	0.1708
Brugia malayi	hypothetical protein	0.0016	0.0076	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1045	0.1708
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.4464	0.7602
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1505	0.25
Echinococcus granulosus	muscleblind protein	0.0148	0.5855	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.01	0.3742	0.6609
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.1045	0.1708
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1045	0.1708
Toxoplasma gondii	melibiase subfamily protein	0.01	0.3742	1
Loa Loa (eye worm)	hypothetical protein	0.0148	0.5855	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0144	0.5662	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0456	0.1218
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.01	0.3742	0.6609
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0833	0.1343
Brugia malayi	MH2 domain containing protein	0.0117	0.4464	0.7602
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1045	0.1708
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0067	0.229	0.4044
Leishmania major	hypothetical protein, conserved	0.0038	0.1045	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.1045	0.1708
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1505	0.25
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0042	0.123	0.3286
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0144	0.5662	0.9668
Brugia malayi	Melibiase family protein	0.0067	0.229	0.3854
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.1045	0.5
Brugia malayi	beta-lactamase family protein	0.0038	0.1045	0.1708
Plasmodium falciparum	histone acetyltransferase GCN5	0.0039	0.1076	1
Loa Loa (eye worm)	acetyltransferase	0.0144	0.5662	0.9668
Brugia malayi	acetyltransferase, GNAT family protein	0.0144	0.5662	0.9668
Mycobacterium ulcerans	beta-lactamase	0.0038	0.1045	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.1045	1
Giardia lamblia	Histone acetyltransferase GCN5	0.0039	0.1076	0.5
Mycobacterium leprae	Probable lipase LipE	0.0038	0.1045	0.5
Onchocerca volvulus		0.0038	0.1045	0.5
Brugia malayi	beta-lactamase	0.0038	0.1045	0.1708
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.01	0.3742	0.6358
Echinococcus multilocularis	muscleblind protein	0.0148	0.5855	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0067	0.229	0.4044
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.1045	0.7612
Echinococcus multilocularis	muscleblind protein 1	0.0148	0.5855	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.01	0.3742	0.6609
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.123	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0042	0.123	0.1485
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.01	0.3742	0.6609
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0067	0.229	1
Mycobacterium ulcerans	lipase LipD	0.0038	0.1045	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0914	0.1482
Brugia malayi	hypothetical protein	0.0025	0.0456	0.0692
Schistosoma mansoni	hypothetical protein	0.0035	0.0914	0.1614
Schistosoma mansoni	hypothetical protein	0.0033	0.0833	0.1472
Brugia malayi	Muscleblind-like protein	0.0148	0.5855	1
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.01	0.3742	0.6358
Schistosoma mansoni	hypothetical protein	0.0015	0.0054	0.0096
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.01	0.3742	0.6358
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1045	0.1708
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1365	0.2259
Schistosoma mansoni	hypothetical protein	0.0015	0.0054	0.0096
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1365	0.241
Mycobacterium ulcerans	hypothetical protein	0.0038	0.1045	0.5
Entamoeba histolytica	acetyltransferase, GNAT family	0.0039	0.1076	1
Brugia malayi	beta-lactamase family protein	0.0038	0.1045	0.1708
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.1045	0.5
Onchocerca volvulus		0.0038	0.1045	0.5
Brugia malayi	hypothetical protein	0.0035	0.0914	0.1482
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0042	0.123	0.1485
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.1045	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.1045	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1365	0.2259
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1365	0.2259
Toxoplasma gondii	ABC1 family protein	0.0038	0.1045	0.2792
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1365	0.2259
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.123	0.2026
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1365	0.2259
Onchocerca volvulus		0.0038	0.1045	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0914	0.1614
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1505	0.25
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.1045	0.1845
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1365	0.241
Schistosoma mansoni	hypothetical protein	0.0015	0.0054	0.0096
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.4464	0.7602
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0914	0.1482
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1505	0.25
Schistosoma mansoni	hypothetical protein	0.0015	0.0054	0.0096

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 803424