TDR Targets

Basic information

Technical information

TDR Targets ID: 865306
Name: 3-(3,5-dimethylphenyl)sulfonyl-7-(4-ethylpipe razin-1-yl)-6-fluoro-1-methylquinolin-4-one
MW: 457.561 | Formula: C24H28FN3O3S
H donors: 0 H acceptors: 3 LogP: 3.83 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCN1CCN(CC1)c1cc2n(C)cc(c(=O)c2cc1F)S(=O)(=O)c1cc(C)cc(c1)C
InChi: 1S/C24H28FN3O3S/c1-5-27-6-8-28(9-7-27)22-14-21-19(13-20(22)25)24(29)23(15-26(21)4)32(30,31)18-11-16(2)10-17(3)12-18/h10-15H,5-9H2,1-4H3
InChiKey: KUNWFOCRUPLTBR-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-(3,5-dimethylphenyl)sulfonyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-1-methyl-quinolin-4-one
3-(3,5-dimethylphenyl)sulfonyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1-methyl-4-quinolinone
3-(3,5-dimethylphenyl)sulfonyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-1-methyl-4-quinolone

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
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0202	0.0208
Schistosoma mansoni	patched 1	0.0051	0.001	0.0032
Trichomonas vaginalis	cyclin B, putative	0.0086	0.0202	0.1519
Loa Loa (eye worm)	hypothetical protein	0.0625	0.3137	0.325
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.0065	0.0084	0.0077
Trichomonas vaginalis	AGC family protein kinase	0.0066	0.0091	0.0652
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0119	0.0379	1
Loa Loa (eye worm)	AUR protein kinase	0.0066	0.0091	0.0093
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0063	0.0073	0.1011
Brugia malayi	serine/threonine-protein kinase 6	0.0066	0.0091	0.0087
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.1289	1
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0063	0.0073	0.0066
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0007	0.0023
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0086	0.0202	0.0202
Trypanosoma cruzi	fatty acid desaturase, putative	0.1824	0.9659	0.9659
Trichomonas vaginalis	cyclin B, putative	0.0086	0.0202	0.1519
Entamoeba histolytica	protein kinase , putative	0.0066	0.0091	0.2246
Trypanosoma cruzi	fatty acid desaturase, putative	0.0063	0.0073	0.0066
Echinococcus granulosus	Sphingolipid delta4 desaturase DES1	0.0063	0.0073	0.1011
Echinococcus granulosus	sterol regulatory element binding protein	0.0051	0.001	0.0044
Onchocerca volvulus		0.1884	0.9989	1
Trichomonas vaginalis	AGC family protein kinase	0.0066	0.0091	0.0652
Trichomonas vaginalis	AGC family protein kinase	0.0066	0.0091	0.0652
Echinococcus multilocularis	cyclin B	0.0086	0.0202	0.2996
Onchocerca volvulus		0.0627	0.3148	0.301
Leishmania major	delta-12 fatty acid desaturase	0.0063	0.0073	0.0066
Echinococcus multilocularis	Fatty acid desaturase, type 1	0.0063	0.0073	0.1011
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0086	0.0202	0.0195
Schistosoma mansoni	protein kinase	0.0066	0.0091	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0379	0.0392
Mycobacterium tuberculosis	Probable conserved membrane protein	0.0065	0.0084	1
Echinococcus granulosus	Protein patched homolog 1	0.0051	0.001	0.0044
Entamoeba histolytica	cyclin, putative	0.0086	0.0202	0.5231
Trichomonas vaginalis	cyclins, putative	0.0086	0.0202	0.1519
Brugia malayi	serine/threonine kinase 12	0.0066	0.0091	0.0087
Entamoeba histolytica	protein kinase, putative	0.0066	0.0091	0.2246
Loa Loa (eye worm)	AUR protein kinase	0.0066	0.0091	0.0093
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0066	0.0091	0.0087
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0066	0.0091	0.2246
Trypanosoma brucei	delta-6 fatty acid desaturase, putative	0.0063	0.0073	0.0066
Brugia malayi	Delta5 fatty acid desaturase	0.0625	0.3137	0.3246
Schistosoma mansoni	cyclin B	0.0086	0.0202	0.0641
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0063	0.0073	0.0066
Echinococcus granulosus	expressed conserved protein	0.0112	0.034	0.5124
Mycobacterium ulcerans	hypothetical protein	0.0065	0.0084	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0119	0.0379	0.5728
Schistosoma mansoni	serine/threonine protein kinase	0.0066	0.0091	0.0288
Trichomonas vaginalis	cyclin A, putative	0.0086	0.0202	0.1519
Leishmania major	fatty-acid desaturase, putative	0.1886	1	1
Giardia lamblia	G2/mitotic-specific cyclin B	0.0086	0.0202	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0073	0.0074
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0063	0.0073	0.0066
Trypanosoma cruzi	cyclin, putative	0.0086	0.0202	0.0195
Leishmania major	delta-4 fatty acid desaturase	0.0063	0.0073	0.0066
Plasmodium vivax	stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative	0.1822	0.9649	1
Loa Loa (eye worm)	hypothetical protein	0.0563	0.2796	0.2897
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0202	0.0208
Trypanosoma cruzi	fatty acid desaturase, putative	0.1886	1	1
Echinococcus multilocularis	expressed conserved protein	0.0112	0.034	0.5124
Giardia lamblia	Aurora kinase	0.0066	0.0091	0.4293
Leishmania major	protein kinase, putative	0.0066	0.0091	0.0084
Loa Loa (eye worm)	AUR protein kinase	0.0066	0.0091	0.0093
Echinococcus granulosus	Niemann Pick C1 protein	0.0119	0.0379	0.5728
Onchocerca volvulus		0.0286	0.1289	0.1111
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0066	0.0091	0.2246
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0066	0.0091	0.1286
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0051	0.001	0.0009
Loa Loa (eye worm)	fatty acid desaturase	0.0063	0.0073	0.0074
Entamoeba histolytica	protein kinase, putative	0.0066	0.0091	0.2246
Echinococcus multilocularis	sterol regulatory element binding protein	0.0051	0.001	0.0044
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.005	0.0007	0.0006
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0066	0.0091	0.2246
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.005	0.0007	0.0006
Trypanosoma brucei	delta-4 fatty acid desaturase	0.0063	0.0073	0.0066
Trichomonas vaginalis	cyclins, putative	0.0059	0.0053	0.0361
Trypanosoma cruzi	sphingolipid delta 4 desaturase, putative	0.0063	0.0073	0.0066
Trypanosoma cruzi	fatty acid desaturase, putative	0.1824	0.9659	0.9659
Trypanosoma cruzi	cyclin 6, putative	0.0086	0.0202	0.0195
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0086	0.0202	0.0195
Trypanosoma brucei	sphingolipid delta 4 desaturase, putative	0.0063	0.0073	0.0066
Onchocerca volvulus		0.1884	0.9989	1
Echinococcus granulosus	aurora kinase A	0.0066	0.0091	0.1286
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0063	0.0073	0.0066
Leishmania major	cyclin	0.0086	0.0202	0.0195
Trypanosoma brucei	fatty acid desaturase, putative	0.1886	1	1
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.0065	0.0084	0.0077
Echinococcus granulosus	Niemann Pick C1 protein	0.017	0.0657	1
Trypanosoma brucei	mitotic cyclin 6	0.0086	0.0202	0.0195
Brugia malayi	serine/threonine protein kinase 6	0.0066	0.0091	0.0087
Toxoplasma gondii	aurora kinase	0.0066	0.0091	1
Loa Loa (eye worm)	FAT-3 protein	0.0625	0.3137	0.325
Brugia malayi	Niemann-Pick C1 protein precursor	0.0119	0.0379	0.0386
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0121	0.0389	0.1237
Brugia malayi	Fatty acid desaturase family protein	0.0063	0.0073	0.0068
Trichomonas vaginalis	cyclins, putative	0.0086	0.0202	0.1519
Loa Loa (eye worm)	fatty acid desaturase	0.0063	0.0073	0.0074
Trichomonas vaginalis	cyclin B, putative	0.0086	0.0202	0.1519
Trypanosoma cruzi	cytochrome b5-dependent oleate desaturase	0.0063	0.0073	0.0066
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0086	0.0202	0.0202
Trypanosoma cruzi	aurora B kinase, putative	0.0066	0.0091	0.0084
Brugia malayi	Pre-SET motif family protein	0.0251	0.11	0.1134
Echinococcus multilocularis	protein dispatched 1	0.0058	0.0049	0.0648
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.005	0.0007	0.0006
Echinococcus granulosus	Fatty acid desaturase type 1	0.0063	0.0073	0.1011
Trichomonas vaginalis	cyclin B, putative	0.0086	0.0202	0.1519
Brugia malayi	CHE-14 protein	0.0051	0.001	0.0003
Trichomonas vaginalis	cyclins, putative	0.0086	0.0202	0.1519
Trypanosoma cruzi	fatty acid desaturase, putative	0.0063	0.0073	0.0066
Trichomonas vaginalis	cyclins, putative	0.0086	0.0202	0.1519
Schistosoma mansoni	fatty acid desaturase	0.0627	0.3148	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.11	0.1139
Loa Loa (eye worm)	acyl-CoA desaturase	0.1822	0.9649	1
Leishmania major	fatty acid desaturase, putative	0.0063	0.0073	0.0066
Trypanosoma brucei	cytochrome b5-dependent oleate desaturase	0.0063	0.0073	0.0066
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0066	0.0091	0.1286
Brugia malayi	Fatty acid desaturase family protein	0.0063	0.0073	0.0068
Plasmodium falciparum	stearoyl-CoA desaturase	0.1822	0.9649	1
Echinococcus multilocularis	aurora kinase A	0.0066	0.0091	0.1286
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0066	0.0091	0.0087
Echinococcus granulosus	cyclin B	0.0086	0.0202	0.2996
Loa Loa (eye worm)	hypothetical protein	0.005	0.0006	0.0005
Leishmania major	fatty acid desaturase, putative	0.0063	0.0073	0.0066
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.001	0.0023
Brugia malayi	acyl-CoA desaturase	0.1822	0.9649	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.001	0.0009
Toxoplasma gondii	sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein	0.0063	0.0073	0.7863
Leishmania major	delta-6 fatty acid desaturase	0.0065	0.0084	0.0077
Entamoeba histolytica	protein kinase domain containing protein	0.0066	0.0091	0.2246
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0063	0.0073	0.1011
Trypanosoma brucei	aurora B kinase	0.0066	0.0091	0.0084
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0007	0.0023
Trypanosoma cruzi	cyclin, putative	0.0086	0.0202	0.0195
Echinococcus multilocularis	protein patched	0.0051	0.001	0.0044
Trichomonas vaginalis	AGC family protein kinase	0.0066	0.0091	0.0652
Echinococcus multilocularis	Niemann Pick C1 protein	0.017	0.0657	1
Leishmania major	delta-5 fatty acid desaturase	0.0625	0.3137	0.3132

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 865306