TDR Targets

Basic information

Technical information

TDR Targets ID: 686021
Name: 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]- 5-[(4-methylphenyl)methoxy]pyran-4-one
MW: 408.465 | Formula: C24H25FN2O3
H donors: 0 H acceptors: 1 LogP: 3.7 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)COc1coc(cc1=O)CN1CCN(CC1)c1ccc(cc1)F
InChi: 1S/C24H25FN2O3/c1-18-2-4-19(5-3-18)16-30-24-17-29-22(14-23(24)28)15-26-10-12-27(13-11-26)21-8-6-20(25)7-9-21/h2-9,14,17H,10-13,15-16H2,1H3
InChiKey: JXMQVCLRNNECBJ-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

2-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-5-[(4-methylphenyl)methoxy]-4-pyranone
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methylbenzyl)oxy-pyran-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
Entamoeba histolytica	phenylalanyl-tRNA synthetase alpha subunit, putative	0.0405	0.2087	1
Echinococcus multilocularis	polycomb protein SCMH1	0.005	0.0146	0.0572
Echinococcus multilocularis	neuropeptide s receptor	0.0488	0.2545	1
Entamoeba histolytica	phosphofructokinase, putative	0.0115	0.0498	0.2242
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.005	0.0146	0.5
Onchocerca volvulus		0.005	0.0146	0.5
Echinococcus granulosus	neuropeptide s receptor	0.0488	0.2545	1
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.005	0.0146	0.0697
Schistosoma mansoni	6-phosphofructokinase	0.0115	0.0498	0.2389
Leishmania major	phenylalanyl-tRNA synthetase alpha chain, putative	0.0405	0.2087	1
Treponema pallidum	phenylalanyl-tRNA synthetase subunit alpha	0.0405	0.2087	1
Schistosoma mansoni	hypothetical protein	0.0306	0.1547	0.7414
Brugia malayi	Bromodomain containing protein	0.004	0.0091	0.0374
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0405	0.2087	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0116	0.0124
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0057	0.0184	0.0722
Brugia malayi	Bromodomain containing protein	0.0079	0.0303	0.1398
Brugia malayi	6-phosphofructokinase	0.0115	0.0498	0.2338
Echinococcus granulosus	SAM and MBT domain containing protein	0.005	0.0146	0.0572
Trypanosoma cruzi	phenylalanyl-tRNA synthetase alpha chain, putative	0.0405	0.2087	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0134	0.0581
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0181	0.0864	0.4027
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.1849	1	1
Loa Loa (eye worm)	hypothetical protein	0.0405	0.2087	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0063	0.0215	0.0845
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0198	0.0957	0.3761
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0405	0.2087	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0146	0.0271
Echinococcus multilocularis	phenylalanyl tRNA synthetase	0.0181	0.0864	0.3395
Loa Loa (eye worm)	6-phosphofructokinase	0.0115	0.0498	0.2039
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0146	0.0697
Toxoplasma gondii	Ferredoxin-fold anticodon binding domain-containing protein	0.0181	0.0864	0.4027
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0134	0.0214
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0115	0.0498	0.2242
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0146	0.0697
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit alpha	0.1849	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0134	0.0527
Echinococcus granulosus	neuropeptide receptor A26	0.0488	0.2545	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0057	0.0184	0.0722
Echinococcus granulosus	polycomb protein SCMH1	0.005	0.0146	0.0572
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0181	0.0864	0.4027
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0057	0.0184	0.0722
Trichomonas vaginalis	phosphofructokinase, putative	0.0115	0.0498	0.2242
Plasmodium falciparum	phenylalanine--tRNA ligase alpha subunit	0.0405	0.2087	1
Echinococcus multilocularis	SAM and MBT domain containing protein	0.005	0.0146	0.0572
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0134	0.0527
Brugia malayi	6-phosphofructokinase	0.0115	0.0498	0.2338
Schistosoma mansoni	6-phosphofructokinase	0.0115	0.0498	0.2389
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0134	0.0527
Echinococcus multilocularis	6 phosphofructokinase	0.0115	0.0498	0.1959
Wolbachia endosymbiont of Brugia malayi	phenylalanyl-tRNA synthetase subunit alpha	0.1849	1	0.5
Echinococcus granulosus	6 phosphofructokinase	0.0115	0.0498	0.1959
Giardia lamblia	Phenylalanyl-tRNA synthetase alpha chain	0.0405	0.2087	1
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0198	0.0957	0.3761
Loa Loa (eye worm)	6-phosphofructokinase	0.0115	0.0498	0.2039
Mycobacterium leprae	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.0272	0.1361	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0134	0.0643
Echinococcus granulosus	phenylalanyl tRNA synthetase	0.0181	0.0864	0.3395
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0132	0.0595	0.2715
Trichomonas vaginalis	phosphofructokinase, putative	0.0115	0.0498	0.2242
Schistosoma mansoni	bromodomain containing protein	0.0067	0.0236	0.1129
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0132	0.0595	0.2715
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0184	0.0462
Brugia malayi	phenylalanyl (f) trna synthetase protein 1	0.0405	0.2087	1
Toxoplasma gondii	phenylalanyl-tRNA synthetase alpha chain A, putative	0.0405	0.2087	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0057	0.0184	0.0722
Echinococcus granulosus	phenylalanyl tRNA synthetase alpha chain B	0.0405	0.2087	0.82
Loa Loa (eye worm)	MBCTL1	0.0057	0.0184	0.0462
Entamoeba histolytica	phosphofructokinase, putative	0.0115	0.0498	0.2242
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.0077	0.0304
Trichomonas vaginalis	phosphofructokinase, putative	0.0115	0.0498	0.2242
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0105	0.0069
Loa Loa (eye worm)	phenylalanyl-tRNA synthetase	0.0181	0.0864	0.3871
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0057	0.0184	0.082
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0938
Brugia malayi	mbt repeat family protein	0.005	0.0146	0.0636
Trichomonas vaginalis	phosphofructokinase, putative	0.0115	0.0498	0.2242
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0132	0.0595	0.2715
Brugia malayi	phenylalanyl-tRNA synthetase, mitochondrial precursor, putative	0.0181	0.0864	0.4101
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0057	0.0184	0.088
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0132	0.0595	0.2853
Plasmodium vivax	phenylalanine--tRNA ligase alpha subunit, putative	0.0405	0.2087	1
Trypanosoma brucei	phenylalanyl-tRNA synthetase alpha chain, putative	0.0405	0.2087	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0134	0.0643
Echinococcus multilocularis	phenylalanyl tRNA synthetase alpha chain B	0.0405	0.2087	0.82
Schistosoma mansoni	phenylalanyl-tRNA synthetase mitochondrial	0.0181	0.0864	0.414
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.0077	0.0304
Echinococcus multilocularis	neuropeptide receptor A26	0.0488	0.2545	1
Loa Loa (eye worm)	mbt repeat family protein	0.005	0.0146	0.0271
Brugia malayi	mbt repeat family protein	0.005	0.0146	0.0636
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0134	0.0643
Plasmodium falciparum	phenylalanine--tRNA ligase	0.015	0.0694	0.3197
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0063	0.0215	0.0845
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0134	0.0527
Entamoeba histolytica	phosphofructokinase, putative	0.0115	0.0498	0.2242
Brugia malayi	phosphofructokinase	0.0115	0.0498	0.2338
Loa Loa (eye worm)	phosphofructokinase	0.0115	0.0498	0.2039

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.

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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 686021