Detailed information for compound 1339670

Basic information

Technical information
  • TDR Targets ID: 1339670
  • Name: hydron; 2-(2-methoxyphenyl)-N-(2,2,6,6-tetram ethylpiperidin-4-yl)acetamide; chloride
  • MW: 340.888 | Formula: C18H29ClN2O2
  • H donors: 2 H acceptors: 1 LogP: 3.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1CC(=O)NC1CC(C)(C)NC(C1)(C)C.Cl
  • InChi: 1S/C18H28N2O2.ClH/c1-17(2)11-14(12-18(3,4)20-17)19-16(21)10-13-8-6-7-9-15(13)22-5;/h6-9,14,20H,10-12H2,1-5H3,(H,19,21);1H
  • InChiKey: DQEOWQINVVIRJI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide hydrochloride
  • hydron; 2-(2-methoxyphenyl)-N-(2,2,6,6-tetramethyl-4-piperidyl)acetamide; chloride
  • 2-(2-methoxyphenyl)-N-(2,2,6,6-tetramethyl-4-piperidyl)acetamide hydrochloride
  • hydron; 2-(2-methoxyphenyl)-N-(2,2,6,6-tetramethyl-4-piperidinyl)acetamide; chloride
  • 2-(2-methoxyphenyl)-N-(2,2,6,6-tetramethyl-4-piperidinyl)acetamide hydrochloride
  • hydron; 2-(2-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)ethanamide; chloride
  • 2-(2-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)ethanamide hydrochloride
  • MLS000075586
  • SMR000013636
  • 2-(2-Methoxy-phenyl)-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-acetamide

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Carboxylesterase family protein 0.0179 0.1626 0.1626
Echinococcus multilocularis acetylcholinesterase 0.1057 1 1
Trichomonas vaginalis set domain proteins, putative 0.023 0.2117 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0179 0.1626 0.1626
Echinococcus granulosus carboxylesterase 5A 0.1057 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0017
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.02 0.02
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0179 0.1626 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0017 0.0017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0017 0.0017
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0355 0.0355
Onchocerca volvulus 0.0179 0.1626 0.7662
Brugia malayi nuclear receptor NHR-88 0.001 0.0017 0.0017
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0069 0.0069
Schistosoma mansoni microtubule-associated protein tau 0.0684 0.6443 0.6443
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0017 0.0017
Echinococcus multilocularis neuropeptide s receptor 0.0449 0.4206 0.4206
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0256 0.0256
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.02 0.02
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0179 0.1626 0.1626
Loa Loa (eye worm) hypothetical protein 0.0179 0.1626 0.1626
Echinococcus multilocularis neuroligin 0.0179 0.1626 0.1626
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0017 0.0017
Onchocerca volvulus 0.0179 0.1626 0.7662
Brugia malayi steroid hormone receptor 0.001 0.0017 0.0017
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0069 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0017 0.0017
Brugia malayi Pre-SET motif family protein 0.0029 0.02 0.02
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.1851 0.1851
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0017
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0017 0.0017
Echinococcus multilocularis microtubule associated protein 2 0.0684 0.6443 0.6443
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0355 0.0355
Brugia malayi Carboxylesterase family protein 0.0179 0.1626 0.1626
Loa Loa (eye worm) hypothetical protein 0.0179 0.1626 0.1626
Echinococcus multilocularis acetylcholinesterase 0.1057 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0256 0.5
Echinococcus granulosus para nitrobenzyl esterase 0.0179 0.1626 0.1626
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0355 0.0355
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0256 0.0256
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.02 0.02
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0069 0.0069
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0355 0.0355
Brugia malayi Carboxylesterase family protein 0.0179 0.1626 0.1626
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0069 0.0069
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.02 0.02
Echinococcus granulosus acetylcholinesterase 0.1057 1 1
Onchocerca volvulus 0.0179 0.1626 0.7662
Echinococcus granulosus acetylcholinesterase 0.1057 1 1
Loa Loa (eye worm) carboxylesterase 0.0179 0.1626 0.1626
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0017 0.0017
Loa Loa (eye worm) carboxylesterase 0.1057 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.02 0.02
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0179 0.1626 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0017 0.0017
Brugia malayi isocitrate dehydrogenase 0.0015 0.0069 0.0069
Schistosoma mansoni thyroid hormone receptor 0.001 0.0017 0.0017
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0017 0.0017
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0069 0.0069
Entamoeba histolytica hypothetical protein 0.0035 0.0256 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0017 0.0017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0017 0.0017
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0017
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.02 0.02
Brugia malayi MH2 domain containing protein 0.0118 0.1051 0.1051
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0256 0.0256
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0017 0.0017
Brugia malayi Carboxylesterase family protein 0.0179 0.1626 0.1626
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0017 0.0017
Schistosoma mansoni neuroligin 3 (S09 family) 0.0179 0.1626 0.1626
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0189 0.0189
Onchocerca volvulus 0.0029 0.02 0.0871
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0069 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0017
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0017 0.0017
Brugia malayi hypothetical protein 0.0179 0.1626 0.1626
Echinococcus multilocularis para nitrobenzyl esterase 0.0179 0.1626 0.1626
Schistosoma mansoni acetylcholinesterase 0.0179 0.1626 0.1626
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0017 0.0017
Brugia malayi Pre-SET motif family protein 0.0202 0.1851 0.1851
Brugia malayi Carboxylesterase family protein 0.1057 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0179 0.1626 0.1626
Brugia malayi hypothetical protein 0.0035 0.0256 0.0256
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0017 0.0017
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0069 0.0069
Echinococcus granulosus FTZ F1 alpha 0.001 0.0017 0.0017
Echinococcus granulosus microtubule associated protein 2 0.0684 0.6443 0.6443
Loa Loa (eye worm) carboxylesterase 0.0179 0.1626 0.1626
Echinococcus granulosus BC026374 protein S09 family 0.0179 0.1626 0.1626
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0017 0.0017
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.02 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0355 0.0355
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1057 1 1
Plasmodium vivax SET domain protein, putative 0.0029 0.02 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0069 0.0069
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0069 0.0069
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0017 0.0017
Schistosoma mansoni coup transcription factor 0.001 0.0017 0.0017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0179 0.1626 0.1626
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0069 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0179 0.1626 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0017 0.0017
Echinococcus multilocularis carboxylesterase 5A 0.1057 1 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.1626 0.1626
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0017 0.0017
Echinococcus granulosus neuropeptide receptor A26 0.0449 0.4206 0.4206
Loa Loa (eye worm) acetylcholinesterase 1 0.1057 1 1
Schistosoma mansoni gliotactin 0.0179 0.1626 0.1626
Schistosoma mansoni hypothetical protein 0.0035 0.0256 0.0256
Entamoeba histolytica hypothetical protein 0.0035 0.0256 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1051 0.1051
Entamoeba histolytica hypothetical protein 0.0035 0.0256 0.5
Brugia malayi ecdysteroid receptor 0.001 0.0017 0.0017
Echinococcus granulosus neuroligin 0.0179 0.1626 0.1626
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0017 0.0017
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0017 0.0017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0017 0.0017
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0017 0.0017
Schistosoma mansoni BC026374 protein (S09 family) 0.0179 0.1626 0.1626
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0179 0.1626 0.1626
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0017 0.0017
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0017 0.0017
Echinococcus granulosus neuropeptide s receptor 0.0449 0.4206 0.4206
Schistosoma mansoni nuclear hormone receptor 0.001 0.0017 0.0017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0017 0.0017
Echinococcus multilocularis BC026374 protein (S09 family) 0.0179 0.1626 0.1626
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0069 0.0069
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.1057 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0017 0.0017
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0017 0.0017
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0355 0.0355
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0017 0.0017
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0355 0.0355
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0029 0.02 0.02
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0355 0.0355
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0179 0.1626 0.1626
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0069 0.0069
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0017 0.0017
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0179 0.1626 0.1626
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0069 0.5
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0017 0.0017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0017 0.0017
Schistosoma mansoni thyroid hormone receptor 0.001 0.0017 0.0017
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0017 0.0017
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0017 0.0017
Brugia malayi nuclear hormone receptor 0.001 0.0017 0.0017
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0355 0.0355
Onchocerca volvulus 0.0179 0.1626 0.7662
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1051 0.1051
Loa Loa (eye worm) hypothetical protein 0.0179 0.1626 0.1626
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0017 0.0017
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0017 0.0017
Mycobacterium ulcerans carboxylesterase, LipT 0.0179 0.1626 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0069 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0017 0.0017
Onchocerca volvulus 0.023 0.2117 1
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0017 0.0017
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0017 0.0017
Onchocerca volvulus 0.0179 0.1626 0.7662
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0069 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0017 0.0017
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0017 0.0017
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0017 0.0017
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.1057 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0179 0.1626 0.1626
Echinococcus multilocularis neuropeptide receptor A26 0.0449 0.4206 0.4206

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.2944 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.6891 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
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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

Bibliographic References

No literature references available for this target.

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