TDR Targets

Basic information

Technical information

TDR Targets ID: 621551
Name: 1-[4-[2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramet hylpiperidin-1-yl)propoxy]phenyl]ethanone
MW: 349.464 | Formula: C20H31NO4
H donors: 2 H acceptors: 3 LogP: 2.1 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OC(CN1C(C)(C)CC(CC1(C)C)O)COc1ccc(cc1)C(=O)C
InChi: 1S/C20H31NO4/c1-14(22)15-6-8-18(9-7-15)25-13-17(24)12-21-19(2,3)10-16(23)11-20(21,4)5/h6-9,16-17,23-24H,10-13H2,1-5H3
InChiKey: WPBBXJYMBHPLLZ-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-(4-hydroxy-2,2,6,6-tetramethyl-1-piperidyl)propoxy]phenyl]ethanone
1-[4-[2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethyl-1-piperidinyl)propoxy]phenyl]ethanone
1-[4-[2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethyl-piperidin-1-yl)propoxy]phenyl]ethanone
MLS000114273
SMR000091686

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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
Trypanosoma cruzi	hypothetical protein, conserved	0.0077	0.0506	0.6642
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1275	0.3189
Echinococcus granulosus	GPCR family 2	0.0033	0.0093	0.0093
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0077	0.0506	0.1144
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0013	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0013	0.0032
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0077	0.0506	0.0506
Schistosoma mansoni	intermediate filament proteins	0.0136	0.1067	0.2668
Trypanosoma brucei	hypothetical protein, conserved	0.0077	0.0506	0.6642
Brugia malayi	beta-lactamase family protein	0.0077	0.0506	0.1266
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.049	0.4423	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0104	0.0762	1
Schistosoma mansoni	lamin	0.0136	0.1067	0.2668
Echinococcus multilocularis	lamin	0.0136	0.1067	0.1067
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0013	0.0251
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0114	0.0857	0.0857
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0077	0.0506	0.1266
Schistosoma mansoni	tar DNA-binding protein	0.0445	0.3998	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0013	0.0251
Trypanosoma cruzi	PAB1-binding protein , putative	0.0104	0.0762	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0073	0.0469	0.1173
Schistosoma mansoni	cellular tumor antigen P53	0.0158	0.1275	0.3189
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0093	0.0233
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0013	0.0148
Leishmania major	hypothetical protein, conserved	0.0104	0.0762	1
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0093	0.0233
Trichomonas vaginalis	D-aminoacylase, putative	0.0077	0.0506	1
Mycobacterium tuberculosis	Probable hydrolase	0.0077	0.0506	0.1144
Trichomonas vaginalis	penicillin-binding protein, putative	0.0077	0.0506	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1043	0.2609
Schistosoma mansoni	tar DNA-binding protein	0.0445	0.3998	1
Echinococcus granulosus	tar DNA binding protein	0.0445	0.3998	0.3998
Trypanosoma cruzi	PAB1-binding protein , putative	0.0104	0.0762	1
Brugia malayi	TAR-binding protein	0.0445	0.3998	1
Schistosoma mansoni	hypothetical protein	0.0046	0.022	0.055
Mycobacterium leprae	conserved hypothetical protein	0.0077	0.0506	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0093	0.0093
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0013	0.0167
Echinococcus multilocularis	tumor protein p63	0.1078	1	1
Mycobacterium tuberculosis	Conserved protein	0.0077	0.0506	0.1144
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0377	0.0943
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0077	0.0506	0.1266
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0013	0.0032
Onchocerca volvulus		0.0136	0.1067	0.835
Mycobacterium ulcerans	lipase LipD	0.0077	0.0506	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0013	0.0029
Plasmodium falciparum	ataxin-2 like protein, putative	0.0104	0.0762	0.5
Echinococcus multilocularis	musashi	0.0136	0.1067	0.1067
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0013	0.0251
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0066	0.04	0.04
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0114	0.0857	0.0857
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0046	0.022	0.022
Plasmodium vivax	ataxin-2 like protein, putative	0.0104	0.0762	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0506	0.1266
Echinococcus multilocularis	tar DNA binding protein	0.0445	0.3998	0.3998
Loa Loa (eye worm)	hypothetical protein	0.0066	0.04	0.1002
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0445	0.3998	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0246	0.2114	0.5288
Trichomonas vaginalis	penicillin-binding protein, putative	0.0077	0.0506	1
Schistosoma mansoni	tar DNA-binding protein	0.0445	0.3998	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0093	0.0093
Schistosoma mansoni	hypothetical protein	0.0114	0.0857	0.2144
Onchocerca volvulus		0.0077	0.0506	0.3908
Schistosoma mansoni	hypothetical protein	0.0072	0.0458	0.1145
Trichomonas vaginalis	D-aminoacylase, putative	0.0077	0.0506	1
Mycobacterium leprae	Probable lipase LipE	0.0077	0.0506	1
Echinococcus granulosus	lamin dm0	0.0136	0.1067	0.1067
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0066	0.04	0.04
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0506	0.1266
Brugia malayi	cytoplasmic intermediate filament protein	0.0073	0.0469	0.1173
Mycobacterium ulcerans	esterase/lipase LipP	0.0077	0.0506	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0093	0.0233
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0013	0.0251
Loa Loa (eye worm)	MH2 domain-containing protein	0.0246	0.2114	0.5288
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0077	0.0506	0.1266
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0762	0.1905
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0077	0.0506	0.1144
Mycobacterium tuberculosis	Probable esterase LipL	0.0077	0.0506	0.1144
Loa Loa (eye worm)	intermediate filament protein	0.0136	0.1067	0.2668
Entamoeba histolytica	hypothetical protein	0.0114	0.0857	1
Loa Loa (eye worm)	TAR-binding protein	0.0445	0.3998	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0093	0.0233
Echinococcus granulosus	beta LACTamase domain containing family member	0.0077	0.0506	0.0506
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0105	0.0772	0.1931
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1067	0.2668
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0093	0.0233
Mycobacterium tuberculosis	Probable lipase LipD	0.0077	0.0506	0.1144
Onchocerca volvulus		0.0136	0.1067	0.835
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0013	0.0032
Echinococcus granulosus	lamin	0.0136	0.1067	0.1067
Brugia malayi	MH2 domain containing protein	0.0246	0.2114	0.5288
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0377	0.0943
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0077	0.0506	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0104	0.0762	0.5
Mycobacterium ulcerans	hypothetical protein	0.0077	0.0506	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0013	0.0167
Onchocerca volvulus		0.0158	0.1275	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0506	0.1266
Brugia malayi	beta-lactamase family protein	0.0077	0.0506	0.1266
Entamoeba histolytica	hypothetical protein	0.0114	0.0857	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0046	0.022	0.022
Entamoeba histolytica	hypothetical protein	0.0114	0.0857	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.0458	0.1145
Schistosoma mansoni	hypothetical protein	0.0033	0.0093	0.0233
Entamoeba histolytica	hypothetical protein	0.0114	0.0857	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0458	0.1145
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0013	0.0148
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0077	0.0506	0.1266
Trichomonas vaginalis	D-aminoacylase, putative	0.0077	0.0506	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0013	0.0032
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0013	0.0167
Brugia malayi	RNA recognition motif domain containing protein	0.0445	0.3998	1
Brugia malayi	RNA binding protein	0.0445	0.3998	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0013	0.0148
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0013	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0772	0.1931
Brugia malayi	hypothetical protein	0.0067	0.0414	0.1034
Mycobacterium tuberculosis	Conserved protein	0.0077	0.0506	0.1144
Leishmania major	hypothetical protein, conserved	0.0077	0.0506	0.6642
Brugia malayi	hypothetical protein	0.0104	0.0762	0.1905
Schistosoma mansoni	lamin	0.0136	0.1067	0.2668
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0077	0.0506	0.1144
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0013	0.0251
Mycobacterium ulcerans	beta-lactamase	0.0077	0.0506	1
Trichomonas vaginalis	esterase, putative	0.0077	0.0506	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0093	0.0233
Brugia malayi	Intermediate filament tail domain containing protein	0.0136	0.1067	0.2668
Mycobacterium tuberculosis	Conserved protein	0.0077	0.0506	0.1144
Brugia malayi	beta-lactamase	0.0077	0.0506	0.1266
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0093	0.0093
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0105	0.0772	0.1931
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0093	0.0093
Trypanosoma cruzi	hypothetical protein, conserved	0.0077	0.0506	0.6642
Schistosoma mansoni	transcription factor LCR-F1	0.0114	0.0857	0.2144
Brugia malayi	hypothetical protein	0.0114	0.0857	0.2144
Onchocerca volvulus		0.0077	0.0506	0.3908
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0105	0.0772	0.1931
Trypanosoma brucei	PAB1-binding protein , putative	0.0104	0.0762	1
Onchocerca volvulus		0.0077	0.0506	0.3908
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0013	0.0251
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0013	0.0251
Schistosoma mansoni	tar DNA-binding protein	0.0445	0.3998	1
Echinococcus multilocularis	lamin dm0	0.0136	0.1067	0.1067
Schistosoma mansoni	hypothetical protein	0.0033	0.0093	0.0233
Mycobacterium tuberculosis	Probable lipase LipE	0.0077	0.0506	0.1144
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0093	0.0093
Brugia malayi	intermediate filament protein	0.0136	0.1067	0.2668
Echinococcus granulosus	intermediate filament protein	0.0136	0.1067	0.1067
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0506	0.1266
Loa Loa (eye worm)	beta-lactamase	0.0077	0.0506	0.1266
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0136	0.1067	0.2668
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0013	0.0251
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0013	0.0032
Loa Loa (eye worm)	RNA binding protein	0.0445	0.3998	1
Giardia lamblia	DINP protein human, muc B family	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0506	0.1266
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0506	0.1266
Schistosoma mansoni	tar DNA-binding protein	0.0445	0.3998	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	4.4668 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	6.3096 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.5113 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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

ChEMBL: CHEMBL1339037
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Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 621551