Detailed information for compound 1284475

Basic information

Technical information
  • TDR Targets ID: 1284475
  • Name: N-[4-[3-(2,6-dimethylpiperidin-1-yl)-2-hydrox ypropoxy]phenyl]acetamide hydrochloride
  • MW: 356.887 | Formula: C18H29ClN2O3
  • H donors: 2 H acceptors: 2 LogP: 3 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN1C(C)CCCC1C)COc1ccc(cc1)NC(=O)C.Cl
  • InChi: 1S/C18H28N2O3.ClH/c1-13-5-4-6-14(2)20(13)11-17(22)12-23-18-9-7-16(8-10-18)19-15(3)21;/h7-10,13-14,17,22H,4-6,11-12H2,1-3H3,(H,19,21);1H
  • InChiKey: JNOWUEGBIGBOKH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[3-(2,6-dimethyl-1-piperidyl)-2-hydroxy-propoxy]phenyl]acetamide hydrochloride
  • N-[4-[3-(2,6-dimethyl-1-piperidinyl)-2-hydroxypropoxy]phenyl]acetamide hydrochloride
  • N-[4-[3-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-propoxy]phenyl]ethanamide hydrochloride
  • MLS000723186
  • SMR000236576

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
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.057 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0288 0.0767
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0186 0.3607 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.057 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0193 0.3756 1
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.1147 0.0612
Leishmania major polypeptide deformylase-like protein, putative 0.0186 0.3607 1
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.1147 0.2964
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0488 1 1
Trypanosoma brucei glucosidase, putative 0.0043 0.057 0.1581
Trypanosoma brucei Polypeptide deformylase 1 0.0186 0.3607 1
Leishmania major alpha glucosidase II subunit, putative 0.0043 0.057 0.1581
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0616 0.113
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.057 0.1581
Loa Loa (eye worm) hypothetical protein 0.003 0.0288 0.0767
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0043 0.057 1
Schistosoma mansoni hypothetical protein 0.0035 0.0398 0.038
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0488 1 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0488 1 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.057 0.1581
Plasmodium vivax peptide deformylase, putative 0.0488 1 0.5
Loa Loa (eye worm) intermediate filament protein 0.003 0.0288 0.0767
Schistosoma mansoni alpha glucosidase 0.0043 0.057 0.0973
Trypanosoma cruzi Peptide deformylase 2, putative 0.0186 0.3607 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0193 0.3756 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.1147 0.2477
Trypanosoma brucei Peptide deformylase 2 0.0186 0.3607 1
Toxoplasma gondii hypothetical protein 0.0488 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.057 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0616 0.0944
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0616 0.113
Brugia malayi hypothetical protein 0.0035 0.0398 0.106
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0616 0.0944
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0398 0.0318
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0288 0.0767
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0043 0.057 0.1518
Mycobacterium ulcerans peptide deformylase 0.0488 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.1147 0.2477
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0616 0.0944
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0616 0.113
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0043 0.057 1
Onchocerca volvulus 0.003 0.0288 0.1419
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0043 0.057 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0277 0.0736
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0616 0.0944
Brugia malayi intermediate filament protein 0.003 0.0288 0.0767
Trypanosoma cruzi Peptide deformylase 2, putative 0.0186 0.3607 1
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.1147 0.2964
Echinococcus granulosus lysosomal alpha glucosidase 0.0193 0.3756 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0616 0.1639
Entamoeba histolytica hypothetical protein 0.0035 0.0398 0.6986
Treponema pallidum polypeptide deformylase (def) 0.0488 1 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0193 0.3756 1
Entamoeba histolytica hypothetical protein 0.0035 0.0398 0.6986
Brugia malayi Glycosyl hydrolases family 31 protein 0.0043 0.057 0.1518
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.057 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0398 0.038
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0398 0.0318
Entamoeba histolytica hypothetical protein 0.0035 0.0398 0.6986
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.057 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0186 0.3607 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0043 0.057 0.0813
Onchocerca volvulus 0.003 0.0288 0.1419
Brugia malayi Glycosyl hydrolases family 31 protein 0.0193 0.3756 1
Onchocerca volvulus 0.0112 0.203 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0616 0.1639
Plasmodium falciparum peptide deformylase 0.0488 1 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0043 0.057 1
Schistosoma mansoni alpha-glucosidase 0.0166 0.3186 1
Schistosoma mansoni alpha-glucosidase 0.0166 0.3186 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.1147 0.3181
Trichomonas vaginalis maltase-glucoamylase, putative 0.0043 0.057 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0043 0.057 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0043 0.057 0.0813
Entamoeba histolytica hypothetical protein 0.0035 0.0398 0.6986

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 13.1154 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) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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