Detailed information for compound 142839

Basic information

Technical information
  • TDR Targets ID: 142839
  • Name: 4-methoxy-N-[2-[2-(1-methylpiperidin-2-yl)eth yl]phenyl]benzamide
  • MW: 352.47 | Formula: C22H28N2O2
  • H donors: 1 H acceptors: 1 LogP: 4.29 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)Nc1ccccc1CCC1CCCCN1C
  • InChi: 1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)
  • InChiKey: PJWPNDMDCLXCOM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-methoxy-N-[2-[2-(1-methyl-2-piperidyl)ethyl]phenyl]benzamide
  • 4-methoxy-N-[2-[2-(1-methyl-2-piperidinyl)ethyl]phenyl]benzamide
  • Encainide
  • 37612-13-8
  • 66778-36-7
  • (.+/-.)-4-Methoxy-N-[2-[2-(1-methyl-2-piperidinyl)ethyl]phenyl]benzamide
  • 4-methoxy-N-{2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl}benzamide
  • C06978
  • MJ-9067
  • MJ-9067-1

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
Loa Loa (eye worm) hypothetical protein 0.0316 0.1037 0.1037
Brugia malayi hypothetical protein 0.0067 0.0126 0.0008
Echinococcus multilocularis non lysosomal glucosylceramidase 0.0414 0.1393 0.129
Brugia malayi manba-prov protein 0.0105 0.0268 0.0151
Leishmania major alpha glucosidase II subunit, putative 0.0624 0.2161 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0624 0.2161 0.2865
Trichomonas vaginalis glucosylceramidase, putative 0.21 0.7543 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0119 0.0032
Brugia malayi Glycosyl hydrolases family 31 protein 0.0624 0.2161 0.2066
Loa Loa (eye worm) hypothetical protein 0.0067 0.0126 0.0126
Brugia malayi Ceramide glucosyltransferase 0.0724 0.2522 0.2433
Brugia malayi Glycosyl hydrolases family 38 protein 0.0089 0.0207 0.0089
Loa Loa (eye worm) myosin heavy chain 0.0067 0.0126 0.0126
Trichomonas vaginalis glucosylceramidase, putative 0.21 0.7543 1
Brugia malayi Glycosyl hydrolases family 38 protein 0.014 0.0393 0.0278
Loa Loa (eye worm) hypothetical protein 0.0094 0.0225 0.0225
Loa Loa (eye worm) hypothetical protein 0.0081 0.0178 0.0178
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0397 0.133 0.1226
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0316 0.1037 0.1375
Loa Loa (eye worm) hypothetical protein 0.0144 0.0408 0.0408
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0177 0.0529 0.0493
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0094 0.0225 0.0298
Brugia malayi lysosomal alpha-mannosidase 0.0089 0.0207 0.0089
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0724 0.2522 0.3557
Loa Loa (eye worm) alpha-L-fucosidase 0.0397 0.133 0.133
Trichomonas vaginalis glucosylceramidase, putative 0.1378 0.4909 0.6508
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0083 0.0187 0.0248
Trichomonas vaginalis beta-galactosidase, putative 0.0325 0.1069 0.1417
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0624 0.2161 0.2865
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0119 0.0119
Brugia malayi phosphorylase B kinase beta regulatory chain 0.0067 0.0126 0.0008
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0094 0.0225 0.0298
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0094 0.0225 0.0298
Loa Loa (eye worm) hypothetical protein 0.0067 0.0126 0.0126
Trichomonas vaginalis glucosylceramidase, putative 0.21 0.7543 1
Echinococcus granulosus bile acid beta glucosidase 0.0414 0.1393 0.1393
Schistosoma mansoni alpha-glucosidase 0.2497 0.899 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0094 0.0225 0.0298
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0125 0.0338 0.0279
Echinococcus granulosus non lysosomal glucosylceramidase 0.0414 0.1393 0.1393
Echinococcus granulosus tar DNA binding protein 0.0064 0.0119 0.0119
Schistosoma mansoni hypothetical protein 0.0416 0.1402 0.1475
Loa Loa (eye worm) hypothetical protein 0.0067 0.0126 0.0126
Schistosoma mansoni alpha-l-fucosidase 0.0397 0.133 0.1394
Schistosoma mansoni beta-galactosidase 0.0515 0.1762 0.1879
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0397 0.133 0.133
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0177 0.0529 0.0415
Onchocerca volvulus 0.1914 0.6864 1
Mycobacterium ulcerans alpha-L-fucosidase 0.0397 0.133 1
Schistosoma mansoni ceramide glucosyltransferase 0.0724 0.2522 0.2733
Trypanosoma brucei glycosyl hydrolase-like protein 0.0316 0.1037 0.4146
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0125 0.0338 0.0506
Plasmodium vivax hypothetical protein, conserved 0.0157 0.0458 0.5
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0177 0.0529 0.0529
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0624 0.2161 1
Loa Loa (eye worm) hypothetical protein 0.0706 0.2459 0.2459
Trypanosoma brucei glucosidase, putative 0.0624 0.2161 1
Trichomonas vaginalis conserved hypothetical protein 0.0325 0.1069 0.1417
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0094 0.0225 0.0298
Schistosoma mansoni alpha glucosidase 0.0624 0.2161 0.2326
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0177 0.0529 0.0493
Echinococcus granulosus endoplasmic reticulum mannosyl oligosaccharide 0.0094 0.0225 0.0225
Trichomonas vaginalis alpha-glucosidase, putative 0.0624 0.2161 0.2865
Echinococcus granulosus mannosyl oligosaccharide 12 alpha mannosidase 0.0094 0.0225 0.0225
Echinococcus multilocularis lysosomal alpha glucosidase 0.2774 1 1
Brugia malayi hypothetical protein 0.0067 0.0126 0.0008
Loa Loa (eye worm) ceramide glucosyltransferase 0.0724 0.2522 0.2522
Echinococcus granulosus ceramide glucosyltransferase 0.0724 0.2522 0.2522
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0316 0.1037 0.3834
Schistosoma mansoni mannosyl-oligosaccharide alpha-12-mannosidase 0.0094 0.0225 0.0152
Trichomonas vaginalis alpha-glucosidase, putative 0.0316 0.1037 0.1375
Trichomonas vaginalis glucosylceramidase, putative 0.1378 0.4909 0.6508
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.21 0.7543 0.7543
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0078 0.0167 0.0222
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.2774 1 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0624 0.2161 0.2066
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0094 0.0225 0.0298
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0094 0.0225 0.0298
Trichomonas vaginalis beta-glucosidase, putative 0.0128 0.0349 0.0463
Trichomonas vaginalis alpha-glucosidase, putative 0.0624 0.2161 0.2865
Loa Loa (eye worm) hypothetical protein 0.0279 0.0903 0.0903
Echinococcus granulosus phosphorylase b kinase regulatory 0.0067 0.0126 0.0126
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0174 0.0518 0.0687
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0624 0.2161 0.2161
Onchocerca volvulus 0.0089 0.0207 0.0119
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0119 0.0032
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0119 0.0119
Trichomonas vaginalis glucosylceramidase, putative 0.1378 0.4909 0.6508
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0119 0.0032
Entamoeba histolytica alpha-1,2-mannosidase, putative 0.0844 0.2961 1
Echinococcus multilocularis beta galactosidase 0.0515 0.1762 0.1664
Schistosoma mansoni bile acid beta-glucosidase-related 0.0414 0.1393 0.1465
Trichomonas vaginalis alpha-glucosidase, putative 0.0316 0.1037 0.1375
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0316 0.1037 0.1375
Echinococcus multilocularis phosphorylase b kinase regulatory 0.0067 0.0126 0.0008
Schistosoma mansoni beta-mannosidase 0.0105 0.0268 0.02
Trichomonas vaginalis alpha-glucosidase, putative 0.0316 0.1037 0.1375
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0094 0.0225 0.0298
Loa Loa (eye worm) mannosidase 0.0094 0.0225 0.0225
Echinococcus multilocularis ceramide glucosyltransferase 0.0724 0.2522 0.2433
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0094 0.0225 0.0298
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0094 0.0225 0.0298
Loa Loa (eye worm) RNA binding protein 0.0064 0.0119 0.0119
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0144 0.0408 0.0542
Loa Loa (eye worm) hypothetical protein 0.0515 0.1762 0.1762
Brugia malayi Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform 1 0.0094 0.0225 0.0108
Trichomonas vaginalis glycoside hydrolases, putative 0.0128 0.0349 0.0463
Loa Loa (eye worm) hypothetical protein 0.0093 0.0222 0.0222
Echinococcus multilocularis lysosomal alpha mannosidase 0.0125 0.0338 0.0222
Trichomonas vaginalis alpha-mannosidase, putative 0.014 0.0393 0.0521
Echinococcus multilocularis dnaJ subfamily B 0.0416 0.1402 0.1299
Echinococcus multilocularis endoplasmic reticulum mannosyl oligosaccharide 0.0094 0.0225 0.0108
Schistosoma mansoni mannosidase alpha class 2a 0.0089 0.0207 0.0131
Loa Loa (eye worm) hypothetical protein 0.0094 0.0225 0.0225
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0316 0.1037 0.155
Onchocerca volvulus 0.0089 0.0207 0.0119
Onchocerca volvulus Glucosylceramidase homolog 0.1378 0.4909 0.7098
Echinococcus granulosus phosphorylase b kinase regulatory 0.0067 0.0126 0.0126
Trichomonas vaginalis glycoside hydrolase, putative 0.0519 0.1776 0.2355
Echinococcus granulosus lysosomal alpha glucosidase 0.2774 1 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0094 0.0225 0.0298
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0089 0.0207 0.0131
Echinococcus granulosus neutral alpha glucosidase AB 0.0624 0.2161 0.2161
Toxoplasma gondii melibiase subfamily protein 0.0177 0.0529 0.2136
Echinococcus multilocularis lysosomal alpha glucosidase 0.2774 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0624 0.2161 0.2865
Schistosoma mansoni alpha-glucosidase 0.2497 0.899 1
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.014 0.0393 0.0521
Trichomonas vaginalis maltase-glucoamylase, putative 0.0316 0.1037 0.1375
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0119 0.0032
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0177 0.0529 0.0493
Brugia malayi Glycosyl hydrolases family 31 protein 0.0316 0.1037 0.0929
Trichomonas vaginalis sucrase-isomaltase, putative 0.0593 0.2047 0.2713
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0624 0.2161 0.2865
Echinococcus multilocularis phosphorylase b kinase regulatory 0.0067 0.0126 0.0008
Trichomonas vaginalis glucosylceramidase, putative 0.1378 0.4909 0.6508
Trichomonas vaginalis alpha-glucosidase, putative 0.0316 0.1037 0.1375
Trichomonas vaginalis glucosylceramidase, putative 0.1452 0.5179 0.6867
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0094 0.0225 0.0298
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.011 0.0022
Trichomonas vaginalis alpha-glucosidase, putative 0.0624 0.2161 0.2865
Trichomonas vaginalis alpha-glucosidase, putative 0.0316 0.1037 0.1375
Giardia lamblia Ceramide glucosyltransferase 0.0328 0.108 0.5
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0174 0.0518 0.0687
Mycobacterium tuberculosis Possible conserved exported protein 0.0844 0.2961 1
Trichomonas vaginalis glucosylceramidase, putative 0.1378 0.4909 0.6508
Mycobacterium ulcerans alpha-mannosidase 0.014 0.0393 0.2218
Trichomonas vaginalis alpha-glucosidase, putative 0.0624 0.2161 0.2865
Echinococcus multilocularis transfer RNA-Trp 0.0094 0.0225 0.0108
Echinococcus granulosus lysosomal alpha mannosidase 0.0125 0.0338 0.0338
Trypanosoma cruzi hypothetical protein, conserved 0.0624 0.2161 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0144 0.0408 0.0358
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0094 0.0225 0.0298
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0593 0.2047 0.5985
Trichomonas vaginalis beta-mannosidase, putative 0.0105 0.0268 0.0355
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0119 0.0032
Loa Loa (eye worm) hypothetical protein 0.0089 0.0207 0.0207
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.014 0.0393 0.0393
Trichomonas vaginalis glucosylceramidase, putative 0.1378 0.4909 0.6508
Trichomonas vaginalis glucosylceramidase, putative 0.21 0.7543 1
Schistosoma mansoni hypothetical protein 0.0308 0.1008 0.1031
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0126 0.0167
Echinococcus granulosus dnaJ subfamily B 0.0416 0.1402 0.1402
Schistosoma mansoni ceramide glucosyltransferase 0.0724 0.2522 0.2733
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0157 0.0458 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.0126 0.0126
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.21 0.7543 0.7513
Echinococcus granulosus beta galactosidase 0.0515 0.1762 0.1762
Trichomonas vaginalis conserved hypothetical protein 0.0094 0.0225 0.0298
Echinococcus multilocularis bile acid beta glucosidase 0.0414 0.1393 0.129
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0624 0.2161 0.6486
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0144 0.0408 0.0358
Schistosoma mansoni phosphorylase B kinase beta kpbb 0.0067 0.0126 0.0041
Schistosoma mansoni phosphorylase B kinase alpha kpb1 0.0067 0.0126 0.0041
Trichomonas vaginalis glucosylceramidase, putative 0.21 0.7543 1
Trichomonas vaginalis glucosylceramidase, putative 0.21 0.7543 1
Loa Loa (eye worm) beta-glucuronidase 0.0105 0.0268 0.0268
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0114 0.03 0.0183
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0126 0.0167
Loa Loa (eye worm) hypothetical protein 0.0089 0.0207 0.0207
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0316 0.1037 0.1352
Brugia malayi Glycosyl hydrolases family 38 protein 0.0089 0.0207 0.0089
Brugia malayi Melibiase family protein 0.0144 0.0408 0.0293
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0316 0.1037 0.3834
Brugia malayi Alpha-L-fucosidase family protein 0.0397 0.133 0.1226
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0177 0.0529 0.0493
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0177 0.0529 0.0415
Echinococcus multilocularis mannosyl oligosaccharide 1,2 alpha mannosidase 0.0094 0.0225 0.0108
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0126 0.0167
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0114 0.03 0.03
Brugia malayi phosphorylase B kinase alpha regulatory chain 0.0067 0.0126 0.0008
Echinococcus multilocularis alpha mannosidase 2 0.0089 0.0207 0.0089
Schistosoma mansoni bile acid beta-glucosidase-related 0.0414 0.1393 0.1465
Loa Loa (eye worm) hypothetical protein 0.0057 0.009 0.009
Trichomonas vaginalis glucosylceramidase, putative 0.1452 0.5179 0.6867
Trichomonas vaginalis glucosylceramidase, putative 0.1378 0.4909 0.6508
Brugia malayi Beta-glucuronidase precursor 0.0105 0.0268 0.0151
Trypanosoma cruzi hypothetical protein, conserved 0.0624 0.2161 1

Activities

Activity type Activity value Assay description Source Reference
CL (ADMET) = 12.2 ml/min.kg Hepatic clearance in human ChEMBL. 20070106
CL (ADMET) = 13 ml/min.kg Total body clearance in human ChEMBL. 19445515
CL (ADMET) = 13 ml/min.kg Total clearance in human ChEMBL. 20070106
CL_renal (ADMET) = 0.78 ml/min.kg Renal clearance in human ChEMBL. 19445515
CL_renal (ADMET) = 0.8 ml/min.kg Renal clearance in human ChEMBL. 20070106
delta logD (ADMET) = -0.9 Delta logD (logD6.5 - logD7.4) ChEMBL. 10891117
dP/dt20 (functional) = 0.003 mg kg-1 In vivo index of cardiac contractility using paced guinea pig model ChEMBL. 8230126
ED20 (functional) = 0.7 mg kg-1 Effective dose in vivo for cardiac refractoriness (ERP) using paced guinea pig model ChEMBL. 8230126
F (ADMET) = 49 % Oral bioavailability in human ChEMBL. 10891117
Inhibition (binding) = 22 % Percentage inhibition of specific binding of [3H]-dofetilide (UK-68,798) from cardiac myocytes with blockade of delayed rectifier K+ channel ChEMBL. 8230126
Inhibition (binding) = 55 % Percentage inhibition of specific binding of [3H]-batrachotoxin [3H]-BTX) in sodium channel from cardiac myocytes at 10 microM ChEMBL. 8230126
Inhibition (binding) = 55 % Percentage inhibition of specific binding of [3H]-batrachotoxin [3H]-BTX) in sodium channel from cardiac myocytes at 10 microM ChEMBL. 8230126
logD (ADMET) = -0.34 Partition coefficient (logD6.5) ChEMBL. 10891117
pKa = 10.2 Ionization constant (pKa) ChEMBL. 10891117
Vdss (ADMET) = 2.2 L/Kg Volume of distribution at steady state in human ChEMBL. 20070106

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

Bibliographic References

2 literature references were collected for this gene.

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