TDR Targets

Basic information

Technical information

TDR Targets ID: 1410469
Name: 3-(benzoyl)-6,7-dimethoxy-1-[(2-methoxyphenyl )methyl]quinolin-4-one
MW: 429.465 | Formula: C26H23NO5
H donors: 0 H acceptors: 2 LogP: 4.66 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(cc1OC)n(Cc1ccccc1OC)cc(c2=O)C(=O)c1ccccc1
InChi: 1S/C26H23NO5/c1-30-22-12-8-7-11-18(22)15-27-16-20(25(28)17-9-5-4-6-10-17)26(29)19-13-23(31-2)24(32-3)14-21(19)27/h4-14,16H,15H2,1-3H3
InChiKey: DZXOSGUYQQXCLH-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

6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-3-(oxo-phenylmethyl)-4-quinolinone
3-(benzoyl)-6,7-dimethoxy-1-(2-methoxybenzyl)-4-quinolone
6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-3-phenylcarbonyl-quinolin-4-one
C567-0706
NCGC00110190-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

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
Brugia malayi	Carboxylesterase family protein	0.1071	1	1
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0252	0.1809	0.0803
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1071	1	1
Echinococcus granulosus	acetylcholinesterase	0.1071	1	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1093	0.1093
Echinococcus multilocularis	carboxylesterase 5A	0.1071	1	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1093	0.1093
Mycobacterium ulcerans	carboxylesterase, LipT	0.0181	0.1093	0.5
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0181	0.1093	0.1093
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1093	0.1093
Echinococcus granulosus	carboxylesterase 5A	0.1071	1	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0181	0.1093	0.1093
Echinococcus granulosus	integrin alpha ps	0.015	0.078	0.078
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1093	0.1093
Loa Loa (eye worm)	hypothetical protein	0.1071	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0181	0.1093	0.1093
Echinococcus granulosus	neuroligin	0.0181	0.1093	0.1093
Loa Loa (eye worm)	hypothetical protein	0.0262	0.1905	0.1905
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0181	0.1093	0.5
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0181	0.1093	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0181	0.1093	0.1093
Loa Loa (eye worm)	hypothetical protein	0.0252	0.1809	0.1809
Onchocerca volvulus		0.0181	0.1093	0.5
Schistosoma mansoni	gliotactin	0.0181	0.1093	0.1093
Echinococcus granulosus	integrin alpha 3	0.0256	0.1843	0.1843
Schistosoma mansoni	integrin alpha-ps	0.015	0.078	0.078
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0181	0.1093	0.1093
Trichomonas vaginalis	spcc417.12 protein, putative	0.0181	0.1093	0.5
Echinococcus granulosus	BC026374 protein S09 family	0.0181	0.1093	0.1093
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1125	0.1125
Loa Loa (eye worm)	acetylcholinesterase 1	0.1071	1	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1093	0.1093
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0181	0.1093	0.1093
Schistosoma mansoni	integrin alpha	0.0334	0.2622	0.2622
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1093	0.1093
Echinococcus multilocularis	acetylcholinesterase	0.1071	1	1
Echinococcus multilocularis	integrin alpha ps	0.015	0.078	0.078
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0062	0.0062
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0181	0.1093	0.5
Echinococcus granulosus	acetylcholinesterase	0.1071	1	1
Loa Loa (eye worm)	carboxylesterase	0.1071	1	1
Loa Loa (eye worm)	carboxylesterase	0.0181	0.1093	0.1093
Echinococcus granulosus	para nitrobenzyl esterase	0.0181	0.1093	0.1093
Onchocerca volvulus		0.0181	0.1093	0.5
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0181	0.1093	0.1093
Brugia malayi	Integrin alpha pat-2 precursor	0.0334	0.2622	0.1717
Echinococcus multilocularis	integrin alpha 3	0.0256	0.1843	0.1843
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1093	0.1093
Echinococcus multilocularis	acetylcholinesterase	0.1071	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0181	0.1093	0.5
Onchocerca volvulus		0.0181	0.1093	0.5
Echinococcus multilocularis	integrin alpha ps	0.015	0.078	0.078
Schistosoma mansoni	BC026374 protein (S09 family)	0.0181	0.1093	0.1093
Schistosoma mansoni	integrin alpha-ps	0.0078	0.0062	0.0062
Echinococcus multilocularis	para nitrobenzyl esterase	0.0181	0.1093	0.1093
Loa Loa (eye worm)	integrin alpha pat-2	0.0514	0.4431	0.4431
Loa Loa (eye worm)	hypothetical protein	0.1071	1	1
Onchocerca volvulus		0.0181	0.1093	0.5
Schistosoma mansoni	acetylcholinesterase	0.0181	0.1093	0.1093
Loa Loa (eye worm)	carboxylesterase	0.0181	0.1093	0.1093
Onchocerca volvulus		0.0181	0.1093	0.5
Echinococcus multilocularis	neuroligin	0.0181	0.1093	0.1093

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (binding)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	125.8925 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	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: CHEMBL1552955

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1410469