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

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