TDR Targets

Basic information

Technical information

TDR Targets ID: 1489998
Name: 6-fluoro-1-[(4-methylphenyl)methyl]-3-(3-meth ylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4- one
MW: 506.588 | Formula: C28H27FN2O4S
H donors: 0 H acceptors: 3 LogP: 4.77 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: Cc1ccc(cc1)Cn1cc(c(=O)c2c1cc(N1CCOCC1)c(c2)F)S(=O)(=O)c1cccc(c1)C
InChi: 1S/C28H27FN2O4S/c1-19-6-8-21(9-7-19)17-31-18-27(36(33,34)22-5-3-4-20(2)14-22)28(32)23-15-24(29)26(16-25(23)31)30-10-12-35-13-11-30/h3-9,14-16,18H,10-13,17H2,1-2H3
InChiKey: WPBSCDSTHNIYMI-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-fluoro-1-[(4-methylphenyl)methyl]-3-(3-methylphenyl)sulfonyl-7-morpholino-quinolin-4-one
6-fluoro-1-[(4-methylphenyl)methyl]-3-(3-methylphenyl)sulfonyl-7-morpholino-4-quinolinone
6-fluoro-1-(4-methylbenzyl)-3-(3-methylphenyl)sulfonyl-7-morpholino-4-quinolone
6-fluoro-1-[(4-methylphenyl)methyl]-3-(3-methylphenyl)sulfonyl-7-morpholin-4-yl-quinolin-4-one
NCGC00123509-01
E599-0586

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
Schistosoma mansoni	twik family of potassium channels-related	0.0134	0.0298	0.0281
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0134	0.0298	1
Onchocerca volvulus		0.0134	0.0298	0.5
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0134	0.0298	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0134	0.0298	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.0134	0.0298	0.0281
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.0355	0.0994	0.0968
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Trypanosoma cruzi	ion transport protein, putative	0.0134	0.0298	0.5
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0134	0.0298	0.5
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Schistosoma mansoni	calcium-activated potassium channel	0.0134	0.0298	0.0281
Schistosoma mansoni	twik family of potassium channels-related	0.0134	0.0298	0.0281
Echinococcus granulosus	potassium channel subfamily K 8	0.0134	0.0298	0.027
Schistosoma mansoni	calcium-activated potassium channel	0.3212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0462	0.1333	0.1333
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Echinococcus multilocularis	small conductance calcium activated potassium	0.3212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Schistosoma mansoni	calcium-activated potassium channel	0.0134	0.0298	0.0281
Giardia lamblia	Hypothetical protein	0.0134	0.0298	0.5
Echinococcus granulosus	voltage dependent calcium channel subunit	0.0355	0.0994	0.0968
Leishmania major	potassium channel subunit-like protein	0.0134	0.0298	0.5
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0134	0.0298	0.0298
Leishmania major	hypothetical protein, conserved	0.0134	0.0298	0.5
Schistosoma mansoni	calcium-activated potassium channel	0.2615	0.812	0.8117
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Echinococcus multilocularis	twik family of potassium channels	0.0134	0.0298	0.027
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0134	0.0298	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0134	0.0298	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Schistosoma mansoni	hypothetical protein	0.3212	1	1
Echinococcus multilocularis	twik family of potassium channels	0.0134	0.0298	0.027
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0134	0.0298	1
Loa Loa (eye worm)	TWK-7 protein	0.0134	0.0298	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Schistosoma mansoni	hypothetical protein	0.0134	0.0298	0.0281
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0134	0.0298	1
Echinococcus granulosus	calcium activated potassium channel variant	0.0134	0.0298	0.027
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0134	0.0298	0.5
Onchocerca volvulus		0.0134	0.0298	0.5
Echinococcus multilocularis	potassium channel subfamily K 8	0.0134	0.0298	0.027
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0134	0.0298	0.5
Plasmodium falciparum	potassium channel	0.0134	0.0298	0.5
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0134	0.0298	0.027
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Trypanosoma cruzi	hypothetical protein, conserved	0.0134	0.0298	0.5
Echinococcus granulosus	potassium channel subfamily K 8	0.0134	0.0298	0.027
Echinococcus granulosus	biogenic amine 5HT receptor	0.0131	0.0287	0.0259
Toxoplasma gondii	ion channel protein	0.0134	0.0298	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.0134	0.0298	0.0281
Loa Loa (eye worm)	hypothetical protein	0.1378	0.422	0.422
Onchocerca volvulus		0.0134	0.0298	0.5
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Mycobacterium ulcerans	transmembrane cation transporter	0.0134	0.0298	0.5
Echinococcus granulosus	potassium channel subfamily K	0.0134	0.0298	0.027
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0134	0.0298	0.0298
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0134	0.0298	0.027
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0134	0.0298	0.5
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0134	0.0298	0.5
Echinococcus multilocularis	potassium channel subfamily K	0.0134	0.0298	0.027
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0134	0.0298	0.0298
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0134	0.0298	0.027
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0131	0.0287	0.027
Mycobacterium ulcerans	ion transport protein	0.0134	0.0298	0.5
Loa Loa (eye worm)	hypothetical protein	0.3212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0287	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0134	0.0298	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0134	0.0298	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.01	0.01
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0134	0.0298	1
Schistosoma mansoni	serine-rich repeat protein	0.0083	0.0138	0.0121
Onchocerca volvulus		0.0134	0.0298	0.5
Leishmania major	hypothetical protein, conserved	0.0134	0.0298	0.5
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Loa Loa (eye worm)	hypothetical protein	0.1237	0.3775	0.3775
Leishmania major	calcium/potassium channel (CAKC), putative	0.0134	0.0298	0.5
Echinococcus multilocularis	potassium channel subfamily K 8	0.0134	0.0298	0.027
Onchocerca volvulus		0.0134	0.0298	0.5
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0134	0.0298	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0029	0.0029
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0134	0.0298	0.5
Echinococcus granulosus	twik family of potassium channels	0.0134	0.0298	0.027
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Onchocerca volvulus		0.0134	0.0298	0.5
Schistosoma mansoni	hypothetical protein	0.0083	0.0138	0.0121
Trypanosoma cruzi	ion transport protein, putative	0.0134	0.0298	0.5
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Schistosoma mansoni	twik family of potassium channels-related	0.0134	0.0298	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Echinococcus granulosus	twik family of potassium channels	0.0134	0.0298	0.027
Echinococcus multilocularis	calcium activated potassium channel variant	0.0134	0.0298	0.027
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0134	0.0298	1
Echinococcus multilocularis	serotonin receptor	0.0131	0.0287	0.0259
Trypanosoma cruzi	hypothetical protein, conserved	0.0134	0.0298	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0134	0.0298	0.5
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Plasmodium vivax	potassium channel, putative	0.0134	0.0298	0.5
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0134	0.0298	0.5
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0287	0.0287
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0134	0.0298	1
Brugia malayi	Cache domain containing protein	0.0071	0.01	0.3372
Onchocerca volvulus		0.0134	0.0298	0.5
Loa Loa (eye worm)	uncoordinated protein 58	0.0134	0.0298	0.0298
Loa Loa (eye worm)	TWK-28 protein	0.0134	0.0298	0.0298
Trypanosoma brucei	calcium-activated potassium channel, putative	0.0134	0.0298	0.5
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0155	0.0363	0.0347
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0134	0.0298	0.027
Leishmania major	ion transport protein-like protein	0.0134	0.0298	0.5
Brugia malayi	hypothetical protein	0.0134	0.0298	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0134	0.0298	1
Brugia malayi	hypothetical protein	0.0134	0.0298	1
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.0161	0.0384	0.0356
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0134	0.0298	1
Toxoplasma gondii	ion channel protein	0.0134	0.0298	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0134	0.0298	1
Plasmodium falciparum	potassium channel	0.0134	0.0298	0.5
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Plasmodium vivax	potassium channel, putative	0.0134	0.0298	0.5
Echinococcus granulosus	voltage dependent calcium channel subunit	0.0161	0.0384	0.0356
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0134	0.0298	0.5
Schistosoma mansoni	amine GPCR	0.0335	0.0933	0.0917
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0134	0.0298	1
Schistosoma mansoni	twik family of potassium channels-related	0.0134	0.0298	0.0281
Schistosoma mansoni	twik family of potassium channels-related	0.0134	0.0298	0.0281
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0134	0.0298	1
Onchocerca volvulus		0.0134	0.0298	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0134	0.0298	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0078	0.0121	0.0104
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0134	0.0298	0.5
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0298	0.0298
Echinococcus multilocularis	serotonin receptor	0.0131	0.0287	0.0259
Schistosoma mansoni	twik family of potassium channels-related	0.0134	0.0298	0.0281

Activities

Activity type	Activity value	Assay description	Source	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

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: CHEMBL1698727

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1489998