TDR Targets

Basic information

Technical information

TDR Targets ID: 865184
Name: 6-fluoro-3-(3-methylphenyl)sulfonyl-7-morphol in-4-yl-1-propylquinolin-4-one
MW: 444.519 | Formula: C23H25FN2O4S
H donors: 0 H acceptors: 3 LogP: 3.81 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCCn1cc(c(=O)c2c1cc(N1CCOCC1)c(c2)F)S(=O)(=O)c1cccc(c1)C
InChi: 1S/C23H25FN2O4S/c1-3-7-26-15-22(31(28,29)17-6-4-5-16(2)12-17)23(27)18-13-19(24)21(14-20(18)26)25-8-10-30-11-9-25/h4-6,12-15H,3,7-11H2,1-2H3
InChiKey: XSQYLJNZARLDOJ-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-3-(3-methylphenyl)sulfonyl-7-morpholino-1-propyl-quinolin-4-one
6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholino-1-propyl-4-quinolinone
6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholino-1-propyl-4-quinolone
6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-yl-1-propyl-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
Schistosoma mansoni	chromatin regulatory protein sir2	0.0073	0.0568	0.1763
Loa Loa (eye worm)	hypoxia-induced factor 1	0.017	0.1654	0.4398
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0288	0.2968	1
Schistosoma mansoni	chromatin regulatory protein sir2	0.031	0.322	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0128	0.0398
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0262	0.2678	0.7122
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2403	0.639
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0128	0.0398
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 7	0.0073	0.0568	0.0568
Brugia malayi	PAS domain containing protein	0.0055	0.0366	0.1136
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0606	0.1883
Brugia malayi	RNA binding protein	0.0076	0.0606	0.1883
Brugia malayi	Pre-SET motif family protein	0.0235	0.2381	0.7396
Loa Loa (eye worm)	cytochrome P450 family protein	0.0059	0.0412	0.1096
Trypanosoma brucei	Silent information regulator 2 related protein 3	0.0073	0.0568	0.1801
Toxoplasma gondii	histone deacetylase SIR2-like	0.0073	0.0568	1
Trypanosoma brucei	Silent information regulator 2 related protein 1	0.0288	0.2968	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.004	0.0108
Echinococcus granulosus	expressed protein	0.0422	0.4469	1
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 6	0.0073	0.0568	0.0568
Brugia malayi	Cytochrome P450 family protein	0.0026	0.004	0.0126
Schistosoma mansoni	aryl hydrocarbon receptor	0.0055	0.0366	0.1136
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0606	0.1883
Brugia malayi	NAD-dependent deacetylase SIRT1	0.031	0.322	1
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0073	0.0568	0.1763
Loa Loa (eye worm)	transcriptional regulator	0.0073	0.0568	0.1509
Schistosoma mansoni	chromatin regulatory protein sir2	0.0073	0.0568	0.1763
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0128	0.0398
Brugia malayi	bHLH-PAS transcription factor	0.0041	0.0206	0.0639
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0606	0.1883
Schistosoma mansoni	chromatin regulatory protein sir2	0.0073	0.0568	0.1763
Brugia malayi	TAR-binding protein	0.0076	0.0606	0.1883
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.0073	0.0568	0.1801
Schistosoma mansoni	chromatin regulatory protein sir2	0.0288	0.2968	0.9218
Onchocerca volvulus		0.0041	0.0206	0.075
Plasmodium vivax	NAD-dependent deacetylase, putative	0.0073	0.0568	1
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0288	0.2968	0.905
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0128	0.0128
Mycobacterium ulcerans	putative regulatory protein	0.0041	0.0206	0.3138
Onchocerca volvulus		0.0268	0.2745	1
Plasmodium falciparum	transcriptional regulatory protein sir2a	0.0073	0.0568	1
Echinococcus multilocularis	chromatin regulatory protein sir2	0.0288	0.2968	0.2968
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0065	0.0476	0.1487
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0606	0.1883
Schistosoma mansoni	chromatin regulatory protein sir2	0.0288	0.2968	0.9218
Leishmania major	sir2-family protein-like protein	0.0073	0.0568	0.1801
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0065	0.0476	0.1478
Brugia malayi	Cytochrome P450 family protein	0.0026	0.004	0.0126
Schistosoma mansoni	chromatin regulatory protein sir2	0.0288	0.2968	0.9218
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0606	0.1612
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.031	0.322	1
Brugia malayi	hypothetical protein	0.0184	0.1814	0.5633
Plasmodium vivax	hypothetical protein, conserved	0.0073	0.0568	1
Loa Loa (eye worm)	transcriptional regulator	0.0073	0.0568	0.1509
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0065	0.0476	0.1065
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0606	0.0606
Echinococcus granulosus	NAD dependent deacetylase sirtuin 6	0.0073	0.0568	0.127
Loa Loa (eye worm)	hypothetical protein	0.0359	0.376	1
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0288	0.2968	1
Leishmania major	silent information regulator 2, putative	0.0288	0.2968	1
Echinococcus granulosus	NAD dependent deacetylase sirtuin 3	0.0288	0.2968	0.6641
Echinococcus granulosus	NAD dependent deacetylase sirtuin 1	0.031	0.322	0.7205
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.004	0.0108
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0133	0.1241	0.1241
Schistosoma mansoni	single-minded	0.0055	0.0366	0.1136
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.0073	0.0568	0.1801
Brugia malayi	Pre-SET motif family protein	0.0034	0.0128	0.0398
Loa Loa (eye worm)	CYP4Cod1	0.0026	0.004	0.0108
Schistosoma mansoni	lipoxygenase	0.0093	0.0793	0.2463
Loa Loa (eye worm)	transcriptional regulator	0.0288	0.2968	0.7892
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0606	0.1612
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0065	0.0476	0.0476
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 1	0.031	0.322	0.322
Brugia malayi	hypoxia-induced factor 1	0.017	0.1654	0.5137
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 3	0.0288	0.2968	0.2968
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0065	0.0476	0.826
Giardia lamblia	NAD-dependent histone deacetylase Sir2	0.031	0.322	1
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0073	0.0568	0.1763
Brugia malayi	hypothetical protein	0.0138	0.1289	0.4004
Mycobacterium ulcerans	Sir2-like regulatory protein	0.0073	0.0568	1
Loa Loa (eye worm)	sirtuin 4	0.0073	0.0568	0.1509
Brugia malayi	Cytochrome P450 family protein	0.0059	0.0412	0.128
Mycobacterium ulcerans	NAD-dependent deacetylase	0.0073	0.0568	1
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0288	0.2968	1
Mycobacterium tuberculosis	Transcriptional regulatory protein	0.0073	0.0568	1
Echinococcus granulosus	single minded 2	0.0041	0.0206	0.0461
Leishmania major	NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe	0.0073	0.0568	0.1801
Giardia lamblia	Hypothetical protein	0.0288	0.2968	0.905
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0128	0.0287
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0606	0.1612
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.031	0.322	1
Trypanosoma brucei	SIR2-like protein 4, putative	0.0073	0.0568	0.1801
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0288	0.2968	0.905
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0606	0.1357
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0606	0.1883
Echinococcus multilocularis	transfer RNA-Lys	0.0041	0.0206	0.0206
Schistosoma mansoni	lipoxygenase	0.0133	0.1241	0.3856
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0288	0.2968	0.9218
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0128	0.0128
Plasmodium vivax	SET domain protein, putative	0.0034	0.0128	0.2257
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.031	0.322	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0235	0.2381	0.6332
Echinococcus granulosus	NAD dependent deacetylase sirtuin 7	0.0073	0.0568	0.127
Echinococcus granulosus	chromatin regulatory protein sir2	0.0288	0.2968	0.6641
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.031	0.322	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0606	0.1883
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1814	0.4823
Trichomonas vaginalis	set domain proteins, putative	0.0268	0.2745	0.8209
Toxoplasma gondii	histone deacetylase SIR2	0.0073	0.0568	1
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0288	0.2968	1
Echinococcus multilocularis	expressed protein	0.0422	0.4469	0.4469
Loa Loa (eye worm)	hypothetical protein	0.031	0.322	0.8562
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0128	0.0398
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.006	0.0427	0.1136
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0065	0.0476	0.1478
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0032	0.0114	0.0256
Onchocerca volvulus		0.0034	0.0128	0.0467
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0133	0.1241	0.2778
Brugia malayi	follicle stimulating hormone receptor	0.0262	0.2678	0.8318
Plasmodium falciparum	transcriptional regulatory protein sir2b	0.0073	0.0568	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0065	0.0476	0.826
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0128	0.0341

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 865184