Detailed information for compound 1171238

Basic information

Technical information
  • TDR Targets ID: 1171238
  • Name: methyl 4-[[4-[(4-fluorophenyl)methoxymethyl]p iperidin-1-yl]methyl]benzoate
  • MW: 371.445 | Formula: C22H26FNO3
  • H donors: 0 H acceptors: 1 LogP: 3.8 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)CN1CCC(CC1)COCc1ccc(cc1)F
  • InChi: 1S/C22H26FNO3/c1-26-22(25)20-6-2-17(3-7-20)14-24-12-10-19(11-13-24)16-27-15-18-4-8-21(23)9-5-18/h2-9,19H,10-16H2,1H3
  • InChiKey: PHEZTZVFWVWYHP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl 4-[[4-[(4-fluorophenyl)methoxymethyl]-1-piperidyl]methyl]benzoate
  • 4-[[4-[(4-fluorophenyl)methoxymethyl]-1-piperidinyl]methyl]benzoic acid methyl ester
  • 4-[[4-[(4-fluorobenzyl)oxymethyl]-1-piperidyl]methyl]benzoic acid methyl ester

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 hypothetical protein 0.0048 0.018 0.0409
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.0612 0.1427
Brugia malayi Inositol-1 0.0042 0.0076 0.0162
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0533 0.8576 1
Echinococcus granulosus para nitrobenzyl esterase 0.0048 0.018 0.0202
Echinococcus multilocularis BC026374 protein (S09 family) 0.0048 0.018 0.0202
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.006 0.3082
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0612 0.0606
Onchocerca volvulus Huntingtin homolog 0.0138 0.175 0.7212
Loa Loa (eye worm) carboxylesterase 0.0048 0.018 0.0409
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0533 0.8576 1
Echinococcus granulosus acetylcholinesterase 0.0283 0.425 0.4952
Schistosoma mansoni alkaline phosphatase 0.0533 0.8576 0.8575
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0076 0.0663 0.0766
Onchocerca volvulus 0.0173 0.2357 1
Brugia malayi Bromodomain containing protein 0.0081 0.0749 0.175
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0114 0.1333 0.3125
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0076 0.1604
Loa Loa (eye worm) hypothetical protein 0.0048 0.018 0.0409
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.006 0.7773
Loa Loa (eye worm) carboxylesterase 0.0048 0.018 0.0409
Loa Loa (eye worm) hypothetical protein 0.0138 0.175 0.4109
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0048 0.018 0.0202
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.006 0.3082
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0283 0.425 0.4246
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0436 1
Brugia malayi hypothetical protein 0.0138 0.175 0.4109
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0076 0.3965
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0047 0.0175 0.0196
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.04 0.6281 0.7322
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0436 0.05
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0037 0 0.5
Schistosoma mansoni alpha glucosidase 0.0041 0.006 0.0054
Echinococcus granulosus fetal alzheimer antigen falz 0.0047 0.0175 0.0196
Schistosoma mansoni alpha-glucosidase 0.0158 0.2097 0.2092
Brugia malayi Glycosyl hydrolases family 31 protein 0.0184 0.2541 0.5972
Echinococcus granulosus acetylcholinesterase 0.0283 0.425 0.4952
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.006 0.0062
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0436 0.05
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.0612 0.1427
Echinococcus multilocularis alkaline phosphatase 0.0533 0.8576 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0126 0.153 0.1777
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.0076 1
Echinococcus multilocularis carboxylesterase 5A 0.0283 0.425 0.4952
Loa Loa (eye worm) hypothetical protein 0.0086 0.0838 0.1959
Schistosoma mansoni BC026374 protein (S09 family) 0.0048 0.018 0.0174
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.0436 0.1011
Loa Loa (eye worm) hypothetical protein 0.0048 0.018 0.0409
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0048 0.018 1
Echinococcus multilocularis acetylcholinesterase 0.0283 0.425 0.4952
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.0076 0.008
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.006 0.0126
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0612 0.0606
Schistosoma mansoni hypothetical protein 0.0043 0.0105 0.0098
Schistosoma mansoni zinc finger protein 0.0041 0.0067 0.006
Brugia malayi Carboxylesterase family protein 0.0283 0.425 1
Schistosoma mansoni bromodomain containing protein 0.0133 0.166 0.1654
Loa Loa (eye worm) mbt repeat family protein 0.01 0.1092 0.2557
Schistosoma mansoni gliotactin 0.0048 0.018 0.0174
Echinococcus multilocularis dna polymerase eta 0.0044 0.0108 0.0118
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.006 0.1247
Echinococcus granulosus SAM and MBT domain containing protein 0.01 0.1092 0.1266
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0063 0.0436 1
Brugia malayi Carboxylesterase family protein 0.0048 0.018 0.0409
Onchocerca volvulus 0.01 0.1092 0.4188
Echinococcus multilocularis lysosomal alpha glucosidase 0.0184 0.2541 0.2957
Echinococcus granulosus histone acetyltransferase MYST2 0.0114 0.1333 0.1547
Brugia malayi PHD-finger family protein 0.0052 0.0261 0.0599
Brugia malayi TAR-binding protein 0.0073 0.0612 0.1427
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.193 0.1924
Loa Loa (eye worm) hypothetical protein 0.0114 0.1333 0.3125
Loa Loa (eye worm) PHD-finger family protein 0.0043 0.0105 0.0232
Loa Loa (eye worm) hypothetical protein 0.0048 0.018 0.0409
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.006 0.5277
Schistosoma mansoni alkaline phosphatase 0.0533 0.8576 0.8575
Onchocerca volvulus 0.0106 0.1197 0.467
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.006 0.3082
Loa Loa (eye worm) hypothetical protein 0.0283 0.425 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0042 0.0076 0.5
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0533 0.8576 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0042 0.0076 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0048 0.018 0.414
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0149 0.193 0.4532
Loa Loa (eye worm) hypothetical protein 0.009 0.0908 0.2123
Loa Loa (eye worm) acetylcholinesterase 1 0.0283 0.425 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.018 0.0409
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0149 0.193 0.2244
Echinococcus multilocularis neuroligin 0.0048 0.018 0.0202
Echinococcus granulosus dna polymerase eta 0.0044 0.0108 0.0118
Echinococcus multilocularis zinc finger protein 0.0041 0.0067 0.007
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0126 0.153 0.1777
Brugia malayi hypothetical protein 0.0173 0.2357 0.5539
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.0076 0.008
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.01 0.1092 0.4188
Loa Loa (eye worm) hypothetical protein 0.0048 0.018 0.0409
Loa Loa (eye worm) RNA binding protein 0.0073 0.0612 0.1427
Leishmania major DNA polymerase eta, putative 0.0044 0.0108 0.2363
Echinococcus multilocularis lysosomal alpha glucosidase 0.0184 0.2541 0.2957
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.006 0.3082
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.0007 0.5
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0533 0.8576 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.018 0.0409
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0108 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0752 0.1756
Trichomonas vaginalis spcc417.12 protein, putative 0.0048 0.018 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0612 0.0606
Brugia malayi Bromodomain containing protein 0.0158 0.2087 0.4903
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.0299 0.0689
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0048 0.018 0.0174
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.0436 0.0429
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.006 0.3082
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.193 0.1924
Schistosoma mansoni hypothetical protein 0.0173 0.235 0.2344
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0076 0.6789
Brugia malayi Carboxylesterase family protein 0.0048 0.018 0.0409
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0612 0.0606
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0612 0.0606
Echinococcus granulosus carboxylesterase 5A 0.0283 0.425 0.4952
Loa Loa (eye worm) inositol-1 0.0042 0.0076 0.0162
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0048 0.018 0.0202
Echinococcus multilocularis polycomb protein SCMH1 0.01 0.1092 0.1266
Brugia malayi mbt repeat family protein 0.01 0.1092 0.2557
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0076 0.6789
Onchocerca volvulus Huntingtin homolog 0.0138 0.175 0.7212
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.006 0.7773
Brugia malayi Carboxylesterase family protein 0.0048 0.018 0.0409
Brugia malayi Carboxylesterase family protein 0.0283 0.425 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0048 0.018 0.0174
Echinococcus multilocularis geminin 0.0173 0.235 0.2734
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0076 0.6789
Echinococcus granulosus lysosomal alpha glucosidase 0.0184 0.2541 0.2957
Brugia malayi follicle stimulating hormone receptor 0.0237 0.3449 0.8112
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.01 0.1092 0.1086
Loa Loa (eye worm) hypothetical protein 0.0048 0.018 0.0409
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0076 0.3965
Loa Loa (eye worm) hypothetical protein 0.0173 0.2357 0.5539
Echinococcus granulosus alkaline phosphatase 0.0533 0.8576 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0048 0.018 0.0174
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0076 0.0663 0.0766
Loa Loa (eye worm) hypothetical protein 0.0149 0.1931 0.4535
Schistosoma mansoni hypothetical protein 0.0277 0.4145 0.4141
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0063 0.0436 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0114 0.1333 0.1547
Echinococcus granulosus intestinal type alkaline phosphatase 0.0533 0.8576 1
Schistosoma mansoni DNA polymerase eta 0.0044 0.0108 0.0101
Schistosoma mansoni sex comb on midleg homolog 0.01 0.1092 0.1086
Echinococcus multilocularis SAM and MBT domain containing protein 0.01 0.1092 0.1266
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.006 0.3082
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0533 0.8576 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.006 0.0062
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.006 0.0126
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0108 0.0239
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0108 1
Echinococcus granulosus geminin 0.0173 0.235 0.2734
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.006 0.3082
Loa Loa (eye worm) hypothetical protein 0.01 0.1092 0.2557
Trichomonas vaginalis inositol monophosphatase, putative 0.0042 0.0076 0.3965
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0184 0.2541 0.5972
Brugia malayi mbt repeat family protein 0.01 0.1092 0.2557
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0048 0.018 0.414
Loa Loa (eye worm) hypothetical protein 0.0283 0.425 1
Schistosoma mansoni inositol monophosphatase 0.0042 0.0076 0.0069
Brugia malayi Carboxylesterase family protein 0.0048 0.018 0.0409
Brugia malayi RNA binding protein 0.0073 0.0612 0.1427
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0047 0.0175 0.0168
Echinococcus granulosus endonuclease exonuclease phosphatase 0.04 0.6281 0.7322
Echinococcus granulosus zinc finger protein 0.0041 0.0067 0.007
Schistosoma mansoni hypothetical protein 0.0173 0.235 0.2344
Schistosoma mansoni acetylcholinesterase 0.0048 0.018 0.0174
Loa Loa (eye worm) hypothetical protein 0.0138 0.175 0.4109
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0114 0.1333 0.1547
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.193 0.1924
Schistosoma mansoni myelin transcription factor 1 myt1 0.0114 0.1333 0.1327
Schistosoma mansoni inositol monophosphatase 0.0042 0.0076 0.0069
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.006 0.5277
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0149 0.193 0.2244
Schistosoma mansoni alpha-glucosidase 0.0158 0.2097 0.2092
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0149 0.193 0.2244
Schistosoma mansoni sex comb on midleg homolog 0.01 0.1092 0.1086
Mycobacterium ulcerans carboxylesterase, LipT 0.0048 0.018 0.2908
Echinococcus granulosus BC026374 protein S09 family 0.0048 0.018 0.0202
Loa Loa (eye worm) TAR-binding protein 0.0073 0.0612 0.1427
Loa Loa (eye worm) hypothetical protein 0.0044 0.0108 0.0239
Echinococcus granulosus polycomb protein SCMH1 0.01 0.1092 0.1266
Echinococcus multilocularis histone acetyltransferase MYST2 0.0114 0.1333 0.1547
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0237 0.3449 0.8112
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0436 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0048 0.018 0.0202
Echinococcus multilocularis tar DNA binding protein 0.0073 0.0612 0.0707
Echinococcus multilocularis acetylcholinesterase 0.0283 0.425 0.4952
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.006 0.3082
Echinococcus granulosus tar DNA binding protein 0.0073 0.0612 0.0707
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0149 0.193 0.4532
Trypanosoma brucei glucosidase, putative 0.0041 0.006 0.5277
Loa Loa (eye worm) MBCTL1 0.0114 0.1333 0.3125
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0149 0.193 0.2244
Mycobacterium tuberculosis Carboxylesterase LipT 0.0048 0.018 0.414
Echinococcus granulosus neuroligin 0.0048 0.018 0.0202
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0048 0.018 0.0174
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.006 0.3082
Loa Loa (eye worm) carboxylesterase 0.0283 0.425 1

Activities

No activities found for this compound.

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

No literature references available for this target.

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