TDR Targets

Basic information

Technical information

TDR Targets ID: 824762
Name: N-(3,4-dimethylphenyl)-2-[6-ethoxy-3-(4-fluor obenzoyl)-4-oxoquinolin-1-yl]acetamide
MW: 472.508 | Formula: C28H25FN2O4
H donors: 1 H acceptors: 3 LogP: 5.32 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc2c(c1)c(=O)c(cn2CC(=O)Nc1ccc(c(c1)C)C)C(=O)c1ccc(cc1)F
InChi: 1S/C28H25FN2O4/c1-4-35-22-11-12-25-23(14-22)28(34)24(27(33)19-6-8-20(29)9-7-19)15-31(25)16-26(32)30-21-10-5-17(2)18(3)13-21/h5-15H,4,16H2,1-3H3,(H,30,32)
InChiKey: YEFRMYAVGSYWOW-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

N-(3,4-dimethylphenyl)-2-[6-ethoxy-3-(4-fluorobenzoyl)-4-oxo-1-quinolyl]acetamide
N-(3,4-dimethylphenyl)-2-[6-ethoxy-3-[(4-fluorophenyl)-oxomethyl]-4-oxo-1-quinolyl]acetamide
N-(3,4-dimethylphenyl)-2-[6-ethoxy-3-(4-fluorobenzoyl)-4-keto-1-quinolyl]acetamide
N-(3,4-dimethylphenyl)-2-[6-ethoxy-3-(4-fluorophenyl)carbonyl-4-oxo-quinolin-1-yl]ethanamide

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	Phosphatidylinositol 3- and 4-kinase family protein	0.0124	0.1676	0.2741
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.13	0.3554
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0228	0.3614	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1102	0.1859
Trypanosoma cruzi	target of rapamycin kinase 3	0.0208	0.3255	0.5579
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0093	0.1102	0.1039
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0203	0.3163	0.8743
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0093	0.1102	0.167
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0228	0.3614	0.3569
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.3254	0.8996
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0203	0.3163	0.8743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0156	0.2273	0.6264
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0184	0.2802	0.7739
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0317	0.0818
Loa Loa (eye worm)	hypothetical protein	0.0104	0.13	0.2193
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0124	0.1676	0.3398
Loa Loa (eye worm)	phosphatidylinositol 3	0.0199	0.3077	0.5191
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0072	0.0708	0.0643
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0092	0.1084	0.113
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0199	0.3077	0.8169
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0203	0.3163	0.8743
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0324	0.5413	0.9112
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0228	0.3614	0.6315
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0228	0.3614	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0203	0.3163	1
Trichomonas vaginalis	conserved hypothetical protein	0.0061	0.051	0.1354
Trypanosoma cruzi	hypothetical protein, conserved	0.0191	0.2926	0.4905
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.057	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0132	0.1821	0.5006
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0708	0.1194
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0127	0.1735	0.2521
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0165	0.2443	0.6739
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0184	0.2804	0.7743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0203	0.3163	0.8743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0165	0.2443	0.6739
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0189	0.2895	0.7996
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0228	0.3614	1
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0352	0.5927	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0124	0.1676	0.4601
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0124	0.1676	0.2661
Brugia malayi	FAT domain containing protein	0.0072	0.0708	0.1089
Loa Loa (eye worm)	phosphatidylinositol 3	0.0228	0.3614	0.6098
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0165	0.2443	0.6739
Brugia malayi	Protein kinase domain containing protein	0.0352	0.5927	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0123	0.166	0.3346
Giardia lamblia	GTOR	0.0228	0.3614	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0184	0.2802	0.7739
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0165	0.2443	0.6739
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0184	0.2804	0.7743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0184	0.2804	0.7743
Schistosoma mansoni	hypothetical protein	0.0072	0.0708	0.099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0199	0.3077	0.8503
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0203	0.3163	0.8743
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0208	0.3255	0.8835
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.3254	0.8996
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.2111	0.5812
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.3254	0.8996
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0072	0.0708	0.0643
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0132	0.1821	0.5006
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0208	0.3255	0.8777
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0038	0.007	0.0118
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0189	0.2895	0.7996
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0228	0.3614	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0093	0.1102	0.1166
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0165	0.2443	0.62
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0228	0.3614	0.6007
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0184	0.2804	0.7743
Entamoeba histolytica	hypothetical protein	0.0124	0.1676	0.2285
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.0708	0.1906
Echinococcus granulosus	serine protein kinase ATM	0.0124	0.1676	0.1617
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0324	0.5413	0.9122
Schistosoma mansoni	serine/threonine protein kinase	0.0352	0.5927	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0136	0.1912	0.526
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0228	0.3614	0.6315
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0228	0.3614	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0093	0.1102	0.3002
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0184	0.2802	0.7739
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0324	0.5413	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0324	0.5413	0.5381
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0132	0.1821	0.5006
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0127	0.1735	0.4767
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0228	0.3614	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0228	0.3614	0.3569
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0199	0.3077	0.8256
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0228	0.3614	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0324	0.5413	0.5381
Toxoplasma gondii	FATC domain-containing protein	0.0124	0.1676	0.2017
Leishmania major	hypothetical protein, conserved	0.0222	0.3518	0.9688
Echinococcus multilocularis	serine protein kinase ATM	0.0124	0.1676	0.1617
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0324	0.5413	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.051	0.1354
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0228	0.3614	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0203	0.3163	0.8743
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0124	0.1676	0.2343
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0228	0.3614	0.6051
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1084	0.1828
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0165	0.2443	0.6012
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0093	0.1102	0.1039
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0228	0.3614	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0093	0.1102	0.1761
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0203	0.3163	0.8743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.3254	0.8996
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.3254	0.8996

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 824762