TDR Targets

Basic information

Technical information

TDR Targets ID: 153448
Name: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2- bis(4-methoxyphenyl)acetamide
MW: 424.576 | Formula: C26H36N2O3
H donors: 1 H acceptors: 1 LogP: 4.88 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C(c1ccc(cc1)OC)C(=O)NCCCN1C(C)CCCC1C
InChi: 1S/C26H36N2O3/c1-19-7-5-8-20(2)28(19)18-6-17-27-26(29)25(21-9-13-23(30-3)14-10-21)22-11-15-24(31-4)16-12-22/h9-16,19-20,25H,5-8,17-18H2,1-4H3,(H,27,29)
InChiKey: ZZHWBLLFKUKZAZ-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

N-[3-(2,6-dimethyl-1-piperidyl)propyl]-2,2-bis(4-methoxyphenyl)acetamide
N-[3-(2,6-dimethyl-1-piperidinyl)propyl]-2,2-bis(4-methoxyphenyl)acetamide
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-bis(4-methoxyphenyl)ethanamide
N-[3-(2,6-dimethylpiperidino)propyl]-2,2-bis(4-methoxyphenyl)acetamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Sodium channel protein type II alpha subunit	Starlite/ChEMBL	References
Rattus norvegicus	Sodium channel alpha subunits; brain (Types I, II, III)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	sodium channel protein	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania mexicana	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania major	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	Get druggable targets OG5_126819	All targets in OG5_126819
Echinococcus multilocularis	sodium channel protein	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania infantum	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania braziliensis	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania donovani	calcium channel protein, putative	Get druggable targets OG5_126819	All targets in OG5_126819

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
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0486	0.0888	0.0888
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0064	0.0038	0.0038
Echinococcus multilocularis	non lysosomal glucosylceramidase	0.2259	0.4457	0.4457
Trichomonas vaginalis	glucosylceramidase, putative	0.1433	0.2793	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0038	0.0191
Trypanosoma brucei	glucosidase, putative	0.0992	0.1906	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0038	0.0191
Schistosoma mansoni	ceramide glucosyltransferase	0.3326	0.6605	0.7351
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0064	0.0038	0.0032
Treponema pallidum	hypothetical protein	0.0045	0	0.5
Entamoeba histolytica	glycogen debranching enzyme, putative	0.0401	0.0717	0.3636
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0486	0.0888	0.4553
Loa Loa (eye worm)	trehalase	0.013	0.0171	0.0171
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.0142	1
Trichomonas vaginalis	beta-glucosidase, putative	0.0255	0.0422	0.1484
Loa Loa (eye worm)	hypothetical protein	0.013	0.0171	0.0171
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0049	0.0009	0.0008
Trichomonas vaginalis	alpha-glucosidase, putative	0.0486	0.0888	0.3158
Trichomonas vaginalis	glucosylceramidase, putative	0.094	0.1801	0.6438
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0001	0.5
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0992	0.1906	0.6813
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.0142	1
Echinococcus granulosus	ceramide glucosyltransferase	0.3326	0.6605	0.6605
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.0119	0.8342
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0001	0.0001
Trichomonas vaginalis	trehalase, putative	0.013	0.0171	0.0584
Brugia malayi	Ceramide glucosyltransferase	0.3326	0.6605	0.6605
Giardia lamblia	Ceramide glucosyltransferase	0.1508	0.2945	1
Schistosoma mansoni	hypothetical protein	0.0516	0.0947	0.1046
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0992	0.1906	1
Brugia malayi	hypothetical protein	0.013	0.0171	0.0171
Onchocerca volvulus	Ceramide glucosyltransferase homolog	0.3326	0.6605	1
Trichomonas vaginalis	glucosylceramidase, putative	0.094	0.1801	0.6438
Brugia malayi	Trehalase family protein	0.013	0.0171	0.0171
Echinococcus multilocularis	sodium channel protein	0.0049	0.0008	0.0007
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.0119	0.8342
Trichomonas vaginalis	glucosylceramidase, putative	0.094	0.1801	0.6438
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0049	0.0009	0.004
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0064	0.0038	0.0036
Trichomonas vaginalis	glucosylceramidase, putative	0.094	0.1801	0.6438
Trichomonas vaginalis	conserved hypothetical protein	0.0206	0.0324	0.1131
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0992	0.1906	0.6813
Brugia malayi	Amylo-alpha-1,6-glucosidase family protein	0.0401	0.0717	0.0717
Loa Loa (eye worm)	hypothetical protein	0.1525	0.2979	0.2979
Brugia malayi	MAP kinase sur-1	0.0049	0.0009	0.0009
Schistosoma mansoni	bile acid beta-glucosidase-related	0.2259	0.4457	0.4957
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0486	0.0888	0.1114
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0992	0.1906	0.1906
Echinococcus multilocularis	glycogen debranching enzyme	0.0401	0.0717	0.0716
Brugia malayi	Trehalase family protein	0.013	0.0171	0.0171
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.0142	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0992	0.1906	0.6813
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.1433	0.2793	0.2793
Trichomonas vaginalis	glucosylceramidase, putative	0.1433	0.2793	1
Trichomonas vaginalis	glucosylceramidase, putative	0.1433	0.2793	1
Echinococcus multilocularis	expressed protein	0.0361	0.0635	0.0634
Brugia malayi	glutathione reductase	0.0046	0.0001	0.0001
Echinococcus granulosus	sodium channel protein	0.0049	0.0008	0.0007
Trichomonas vaginalis	glucosylceramidase, putative	0.094	0.1801	0.6438
Echinococcus multilocularis	lysosomal alpha glucosidase	0.5013	1	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.5013	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.013	0.0171	0.0584
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0992	0.1906	0.6813
Mycobacterium tuberculosis	Probable reductase	0.0104	0.0119	0.8342
Trichomonas vaginalis	alpha-glucosidase, putative	0.0992	0.1906	0.6813
Schistosoma mansoni	alpha-glucosidase	0.4507	0.8982	1
Loa Loa (eye worm)	TRE-2 protein	0.013	0.0171	0.0171
Giardia lamblia	4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase	0.0401	0.0717	0.2412
Loa Loa (eye worm)	hypothetical protein	0.013	0.0171	0.0171
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0064	0.0038	0.0191
Trichomonas vaginalis	glucosylceramidase, putative	0.094	0.1801	0.6438
Brugia malayi	Thioredoxin reductase	0.0046	0.0001	0.0001
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.0119	0.8342
Brugia malayi	hypothetical protein	0.009	0.009	0.009
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0486	0.0888	0.3158
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.0119	0.8342
Trypanosoma brucei	protein kinase, putative	0.0049	0.0009	0.004
Echinococcus granulosus	mitogen activated protein kinase 3	0.0049	0.0009	0.0008
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0001	0.0001
Trichomonas vaginalis	glucosylceramidase, putative	0.094	0.1801	0.6438
Schistosoma mansoni	bile acid beta-glucosidase-related	0.2259	0.4457	0.4957
Trichomonas vaginalis	glucosylceramidase, putative	0.1433	0.2793	1
Trichomonas vaginalis	glycogen debranching enzyme, putative	0.0401	0.0717	0.2543
Trichomonas vaginalis	alpha-glucosidase, putative	0.0486	0.0888	0.3158
Trichomonas vaginalis	glycogen debranching enzyme, putative	0.0401	0.0717	0.2543
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0001	0.5
Toxoplasma gondii	Amylo-alpha-1,6-glucosidase	0.0401	0.0717	0.3758
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0064	0.0038	0.0036
Echinococcus granulosus	mitogen activated protein kinase	0.0049	0.0009	0.0008
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0992	0.1906	0.6813
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0049	0.0009	0.004
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0049	0.0009	0.004
Echinococcus granulosus	non lysosomal glucosylceramidase	0.2259	0.4457	0.4457
Echinococcus multilocularis	ceramide glucosyltransferase	0.3326	0.6605	0.6605
Echinococcus granulosus	lysosomal alpha glucosidase	0.5013	1	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0049	0.0009	0.004
Trichomonas vaginalis	glucosylceramidase, putative	0.0991	0.1903	0.6804
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0049	0.0009	0.004
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.0119	0.8342
Trypanosoma cruzi	hypothetical protein, conserved	0.0992	0.1906	1
Loa Loa (eye worm)	TRE-1 protein	0.013	0.0171	0.0171
Loa Loa (eye worm)	trehalase	0.013	0.0171	0.0171
Leishmania major	alpha glucosidase II subunit, putative	0.0992	0.1906	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0992	0.1906	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.5013	1	1
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0049	0.0008	0.0037
Trichomonas vaginalis	glucosylceramidase, putative	0.1433	0.2793	1
Trichomonas vaginalis	glycoside hydrolases, putative	0.0255	0.0422	0.1484
Trichomonas vaginalis	alpha-glucosidase, putative	0.0992	0.1906	0.6813
Echinococcus granulosus	glycogen debranching enzyme	0.0401	0.0717	0.0716
Echinococcus multilocularis	mitogen activated protein kinase	0.0049	0.0009	0.0008
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0049	0.0008	0.0007
Trichomonas vaginalis	alpha-glucosidase, putative	0.0992	0.1906	0.6813
Loa Loa (eye worm)	hypothetical protein	0.013	0.0171	0.0171
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0001	0.5
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0486	0.0888	0.4657
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0486	0.0888	0.3158
Onchocerca volvulus	Glucosylceramidase homolog	0.094	0.1801	0.2533
Echinococcus granulosus	bile acid beta glucosidase	0.2259	0.4457	0.4457
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0486	0.0888	0.4657
Loa Loa (eye worm)	hypothetical protein	0.013	0.0171	0.0171
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0064	0.0038	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0486	0.0888	0.0888
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.1433	0.2793	0.2793
Echinococcus granulosus	expressed protein	0.0361	0.0635	0.0634
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0992	0.1906	0.1905
Brugia malayi	Trehalase family protein	0.013	0.0171	0.0171
Loa Loa (eye worm)	trehalase	0.013	0.0171	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0401	0.0717	0.0717
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0992	0.1906	1
Schistosoma mansoni	alpha glucosidase	0.0992	0.1906	0.2114
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0992	0.1906	0.1906
Plasmodium falciparum	glutathione reductase	0.0046	0.0001	0.5
Loa Loa (eye worm)	ceramide glucosyltransferase	0.3326	0.6605	0.6605
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0049	0.0009	0.004
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0049	0.0009	0.004
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0486	0.0888	0.3158
Schistosoma mansoni	alpha-glucosidase	0.4507	0.8982	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0081	0.0081
Trichomonas vaginalis	alpha-glucosidase, putative	0.0486	0.0888	0.3158
Trichomonas vaginalis	glucosylceramidase, putative	0.0991	0.1903	0.6804
Schistosoma mansoni	ceramide glucosyltransferase	0.3326	0.6605	0.7351
Echinococcus granulosus	neutral alpha glucosidase AB	0.0992	0.1906	0.1905
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0049	0.0009	0.004
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.0142	1
Brugia malayi	Trehalase family protein	0.013	0.0171	0.0171
Leishmania major	glycosyl hydrolase-like protein	0.0486	0.0888	0.4657
Loa Loa (eye worm)	amylo-alpha-1,6-glucosidase	0.0195	0.0302	0.0302
Loa Loa (eye worm)	hypothetical protein	0.013	0.0171	0.0171
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0049	0.0009	0.0009
Trichomonas vaginalis	alpha-glucosidase, putative	0.0486	0.0888	0.3158
Trichomonas vaginalis	glucosylceramidase, putative	0.1433	0.2793	1
Echinococcus multilocularis	bile acid beta glucosidase	0.2259	0.4457	0.4457
Trypanosoma brucei	glycosyl hydrolase-like protein	0.0486	0.0888	0.4657
Trichomonas vaginalis	alpha-glucosidase, putative	0.0486	0.0888	0.3158
Schistosoma mansoni	hypothetical protein	0.029	0.0493	0.0539
Onchocerca volvulus		0.3239	0.6429	0.9726
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0038	0.0191
Trichomonas vaginalis	alpha-glucosidase, putative	0.0992	0.1906	0.6813
Trypanosoma cruzi	hypothetical protein, conserved	0.0992	0.1906	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 3.1 uM	Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel type 2	ChEMBL.	8295214
IC50 (functional)	= 3.1 uM	Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel type 2	ChEMBL.	8295214
Ki (binding)	= 1 uM	Inhibition of [3H]- batrachotoxin binding to sodium channel in rat neocortical membrane	ChEMBL.	8295214
Ki (binding)	= 1 uM	Inhibition of [3H]- batrachotoxin binding to sodium channel in rat neocortical membrane	ChEMBL.	8295214

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

ChEMBL: CHEMBL93106
PubChem: 10093851

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 153448