TDR Targets

Basic information

Technical information

TDR Targets ID: 621589
Name: 1-[4-[2-hydroxy-3-(2-methylpiperidin-1-yl)pro poxy]phenyl]ethanone
MW: 291.385 | Formula: C17H25NO3
H donors: 1 H acceptors: 2 LogP: 2.27 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OC(CN1CCCCC1C)COc1ccc(cc1)C(=O)C
InChi: 1S/C17H25NO3/c1-13-5-3-4-10-18(13)11-16(20)12-21-17-8-6-15(7-9-17)14(2)19/h6-9,13,16,20H,3-5,10-12H2,1-2H3
InChiKey: AXQKWRMPCYVYQL-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

1-[4-[2-hydroxy-3-(2-methyl-1-piperidyl)propoxy]phenyl]ethanone
1-[4-[2-hydroxy-3-(2-methyl-1-piperidinyl)propoxy]phenyl]ethanone

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
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0298	0.0913
Brugia malayi	beta-lactamase	0.0036	0.0298	0.0758
Schistosoma mansoni	cellular tumor antigen P53	0.0099	0.1248	0.3184
Brugia malayi	TAR-binding protein	0.0274	0.392	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0225	0.0225
Loa Loa (eye worm)	intermediate filament protein	0.0085	0.1049	0.2675
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0298	0.0758
Plasmodium falciparum	ataxin-2 like protein, putative	0.0055	0.0581	1
Schistosoma mansoni	intermediate filament proteins	0.0085	0.1049	0.2675
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0225	0.0574
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0298	0.4993
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0085	0.1049	0.2675
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0105	0.0266
Echinococcus multilocularis	musashi	0.0085	0.1049	0.1048
Brugia malayi	hypothetical protein	0.0035	0.0286	0.0728
Loa Loa (eye worm)	MH2 domain-containing protein	0.0244	0.3457	0.882
Brugia malayi	hypothetical protein	0.0036	0.0297	0.0757
Brugia malayi	hypothetical protein	0.0055	0.0581	0.1482
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0105	0.319
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0298	0.0758
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0298	0.0297
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0231	0.3261	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0297	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.0779	0.1987
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0225	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1049	0.2675
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0298	0.0913
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0025	0.0122	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1025	0.2614
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0298	0.0758
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0105	0.319
Entamoeba histolytica	hypothetical protein	0.0036	0.0297	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0297	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0015	0.0036
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0105	0.0322
Echinococcus granulosus	tar DNA binding protein	0.0274	0.392	0.392
Echinococcus multilocularis	tar DNA binding protein	0.0274	0.392	0.392
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0105	0.0322
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0105	0.319
Trypanosoma cruzi	PAB1-binding protein , putative	0.0055	0.0581	1
Trichomonas vaginalis	esterase, putative	0.0036	0.0298	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0352	0.0896
Onchocerca volvulus		0.0036	0.0298	0.1686
Plasmodium vivax	ataxin-2 like protein, putative	0.0055	0.0581	1
Onchocerca volvulus		0.0099	0.1248	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0297	0.0297
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0298	0.0913
Brugia malayi	beta-lactamase family protein	0.0036	0.0298	0.0758
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0015	0.0036
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0225	0.0225
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0298	0.5
Schistosoma mansoni	lamin	0.0085	0.1049	0.2675
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0298	0.0913
Schistosoma mansoni	hypothetical protein	0.0025	0.0122	0.0309
Trypanosoma cruzi	PAB1-binding protein , putative	0.0055	0.0581	1
Mycobacterium ulcerans	lipase LipD	0.0036	0.0298	1
Schistosoma mansoni	lamin	0.0085	0.1049	0.2675
Schistosoma mansoni	hypothetical protein	0.0031	0.0225	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0779	0.1987
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0298	0.0913
Trypanosoma brucei	PAB1-binding protein , putative	0.0055	0.0581	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0298	0.0758
Brugia malayi	cytoplasmic intermediate filament protein	0.0046	0.0445	0.1133
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0105	0.0266
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0105	0.0266
Schistosoma mansoni	tar DNA-binding protein	0.0274	0.392	1
Echinococcus multilocularis	lamin dm0	0.0085	0.1049	0.1048
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0225	0.0574
Onchocerca volvulus		0.0036	0.0298	0.1686
Schistosoma mansoni	hypothetical protein	0.0031	0.0225	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1257	0.3206
Onchocerca volvulus		0.0085	0.1049	0.8256
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0298	0.0758
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0298	0.0913
Echinococcus granulosus	lamin dm0	0.0085	0.1049	0.1048
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0015	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0015	0.0036
Brugia malayi	RNA recognition motif domain containing protein	0.0274	0.392	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0298	0.0913
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0298	0.0758
Brugia malayi	RNA binding protein	0.0274	0.392	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0297	0.0757
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0105	0.0266
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.1257	0.3206
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0105	0.319
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0297	0.0757
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0105	0.319
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0298	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.1257	0.3206
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0298	0.0758
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0298	0.0913
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0041	0.0376	0.0375
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0607	0.8987	0.8987
Brugia malayi	Intermediate filament tail domain containing protein	0.0085	0.1049	0.2675
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.1257	0.3206
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0105	0.319
Onchocerca volvulus		0.0085	0.1049	0.8256
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0298	0.0758
Schistosoma mansoni	tar DNA-binding protein	0.0274	0.392	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0105	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0581	0.1482
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0298	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1248	0.3184
Schistosoma mansoni	hypothetical protein	0.0031	0.0225	0.0574
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0105	0.319
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0046	0.0445	0.1133
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0225	0.0225
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0298	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0352	0.0896
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0298	0.0758
Echinococcus granulosus	intermediate filament protein	0.0085	0.1049	0.1048
Schistosoma mansoni	tar DNA-binding protein	0.0274	0.392	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0274	0.392	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0055	0.0581	1
Schistosoma mansoni	tar DNA-binding protein	0.0274	0.392	1
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0225	0.0225
Entamoeba histolytica	hypothetical protein	0.0036	0.0297	1
Echinococcus granulosus	GPCR family 2	0.0031	0.0225	0.0225
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0105	0.319
Echinococcus multilocularis	tumor protein p63	0.0673	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0298	0.0758
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0225	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0015	0.0036
Brugia malayi	intermediate filament protein	0.0085	0.1049	0.2675
Onchocerca volvulus		0.0036	0.0298	0.1686
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0298	0.0758
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0105	0.0266
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0041	0.0376	0.0375
Echinococcus multilocularis	lamin	0.0085	0.1049	0.1048
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0015	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0298	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0225	0.0574
Schistosoma mansoni	hypothetical protein	0.0068	0.0779	0.1987
Plasmodium falciparum	ataxin-2 like protein, putative	0.0055	0.0581	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0298	1
Loa Loa (eye worm)	TAR-binding protein	0.0274	0.392	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0298	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0274	0.392	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0244	0.3457	0.882
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0298	0.5
Loa Loa (eye worm)	RNA binding protein	0.0274	0.392	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0225	0.0574
Leishmania major	hypothetical protein, conserved	0.0055	0.0581	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0298	0.0758
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0298	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0298	0.0913
Entamoeba histolytica	hypothetical protein	0.0036	0.0297	1
Echinococcus granulosus	lamin	0.0085	0.1049	0.1048
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0298	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0298	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0298	0.0913
Leishmania major	hypothetical protein, conserved	0.0036	0.0298	0.4045
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0025	0.0122	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0015	0.0036
Brugia malayi	MH2 domain containing protein	0.0244	0.3457	0.882
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0298	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0376	0.0957

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 621589