Detailed information for compound 335479

Basic information

Technical information
  • TDR Targets ID: 335479
  • Name: [1-(2-fluoroethyl)piperidin-4-yl] acetate
  • MW: 189.227 | Formula: C9H16FNO2
  • H donors: 0 H acceptors: 1 LogP: 1.05 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: FCCN1CCC(CC1)OC(=O)C
  • InChi: 1S/C9H16FNO2/c1-8(12)13-9-2-5-11(6-3-9)7-4-10/h9H,2-7H2,1H3
  • InChiKey: LGIBFTXNELWMLC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [1-(2-fluoroethyl)-4-piperidyl] acetate
  • acetic acid [1-(2-fluoroethyl)-4-piperidinyl] ester
  • [1-(2-fluoroethyl)piperidin-4-yl] ethanoate
  • acetic acid [1-(2-fluoroethyl)-4-piperidyl] 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
Loa Loa (eye worm) hypothetical protein 0.0036 0.0136 0.0095
Plasmodium falciparum importin beta, putative 0.0033 0.0067 0.0369
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0091 0.1825 0.7055
Plasmodium vivax small ubiquitin-related modifier, putative 0.0033 0.0042 0.0228
Echinococcus granulosus dna polymerase eta 0.0048 0.0501 0.0462
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0138 0.328 0.3252
Schistosoma mansoni jumonji domain containing protein 0.0036 0.0136 0.0095
Mycobacterium ulcerans 6-phosphofructokinase 0.0115 0.2587 0.7472
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0135 0.3178 0.5306
Schistosoma mansoni jumonji domain containing protein 0.0134 0.3147 0.3118
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0136 0.0095
Echinococcus granulosus 6 phosphofructokinase 0.0115 0.2587 0.2556
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0115 0.2587 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0135 0.3178 0.3149
Loa Loa (eye worm) matrixin family protein 0.0089 0.1769 0.1734
Schistosoma mansoni phd/f-box containing protein 0.0036 0.0136 0.0095
Echinococcus multilocularis 6 phosphofructokinase 0.0115 0.2587 0.2556
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0138 0.328 1
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0115 0.2587 1
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0036 0.0136 0.037
Plasmodium falciparum small ubiquitin-related modifier 0.0033 0.0042 0.0228
Leishmania major hypothetical protein, conserved 0.0036 0.0136 0.0291
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0036 0.0136 0.037
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0135 0.3178 0.3149
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0119 0.2711 0.4517
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0067 0.0205
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0059 0.0866 0.1193
Loa Loa (eye worm) hypothetical protein 0.0175 0.4421 0.4397
Schistosoma mansoni aldehyde dehydrogenase 0.0138 0.328 0.3252
Entamoeba histolytica phosphofructokinase, putative 0.0115 0.2587 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0091 0.1825 0.4692
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0036 0.0136 0.0414
Onchocerca volvulus Matrilysin homolog 0.0089 0.1769 0.361
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0115 0.2587 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0091 0.1825 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0067 0.0101
Trypanosoma cruzi DNA polymerase eta, putative 0.0033 0.0067 0.0101
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0322 0.0281
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0115 0.2587 1
Brugia malayi Importin beta-1 subunit 0.0033 0.0067 0.0044
Schistosoma mansoni jumonji/arid domain-containing protein 0.0134 0.3147 0.3118
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0036 0.0136 0.0095
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.004 0.0271 0.023
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0091 0.1825 0.5564
Echinococcus multilocularis JmjC domain containing protein 4 0.0036 0.0136 0.0095
Mycobacterium ulcerans aldehyde dehydrogenase 0.0138 0.328 1
Mycobacterium leprae PROBABLE HYDROLASE 0.0049 0.0539 0.2083
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0134 0.3147 0.3118
Echinococcus granulosus jumonji domain containing 1A 0.0036 0.0136 0.0095
Echinococcus granulosus lysine specific demethylase 6a 0.0036 0.0136 0.0095
Echinococcus multilocularis snurportin 1 0.0357 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.2643 0.2612
Schistosoma mansoni hypothetical protein 0.0042 0.0322 0.0281
Loa Loa (eye worm) hypothetical protein 0.0033 0.0067 0.0026
Onchocerca volvulus 0.0175 0.4421 1
Brugia malayi Matrixin family protein 0.004 0.0271 0.0388
Brugia malayi Matrixin family protein 0.004 0.0271 0.0388
Brugia malayi Matrixin family protein 0.004 0.0271 0.0388
Brugia malayi RNA, U transporter 1 0.0095 0.196 0.3246
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0225 0.5952 0.5935
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.2643 0.2612
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0225 0.5952 1
Echinococcus multilocularis dna polymerase eta 0.0048 0.0501 0.0462
Brugia malayi jmjC domain containing protein 0.0134 0.3147 0.5254
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0135 0.3178 0.9628
Loa Loa (eye worm) hypothetical protein 0.004 0.0271 0.023
Onchocerca volvulus 0.0057 0.0785 0.1239
Trypanosoma brucei DNA polymerase eta, putative 0.0048 0.0501 0.1807
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0036 0.0136 0.0414
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.2587 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0036 0.0136 0.037
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0136 0.0095
Loa Loa (eye worm) hypothetical protein 0.004 0.0271 0.023
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.2587 1
Schistosoma mansoni aldehyde dehydrogenase 0.0138 0.328 0.3252
Echinococcus multilocularis peptidase Clp (S14 family) 0.0059 0.0866 0.0828
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0138 0.328 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0048 0.0501 0.1807
Loa Loa (eye worm) hypothetical protein 0.0049 0.0539 0.0499
Brugia malayi 6-phosphofructokinase 0.0115 0.2587 0.4306
Plasmodium falciparum JmjC domain-containing protein, putative 0.0036 0.0136 0.0743
Giardia lamblia Sentrin 0.0033 0.0042 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0135 0.3178 0.9628
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0049 0.0539 0.0841
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0091 0.1825 0.7055
Loa Loa (eye worm) hypothetical protein 0.0225 0.5952 0.5935
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0122 0.2776 0.2746
Loa Loa (eye worm) hypothetical protein 0.0036 0.0136 0.0095
Plasmodium vivax importin-beta 2, putative 0.0033 0.0067 0.0369
Brugia malayi jmjC domain containing protein 0.0036 0.0136 0.0159
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0135 0.3178 0.9628
Loa Loa (eye worm) jmjC domain-containing protein 0.0134 0.3147 0.3118
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0135 0.3178 0.9685
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0036 0.0136 0.0095
Schistosoma mansoni protein phosphatase 2C 0.0036 0.0136 0.0095
Onchocerca volvulus Matrix metalloproteinase homolog 0.0089 0.1769 0.361
Schistosoma mansoni peptidase Clp (S14 family) 0.0091 0.1825 0.1791
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0042 0.0339 0.0299
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0067 0.0101
Brugia malayi Probable ClpP-like protease 0.0091 0.1825 0.3017
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0225 0.5952 0.5935
Brugia malayi MH2 domain containing protein 0.0117 0.2643 0.4401
Echinococcus granulosus lysine specific demethylase 5A 0.0134 0.3147 0.3118
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0146 0.3513 0.3486
Loa Loa (eye worm) 6-phosphofructokinase 0.0115 0.2587 0.2556
Echinococcus multilocularis phd:f box containing protein 0.0036 0.0136 0.0095
Schistosoma mansoni jumonji/arid domain-containing protein 0.0134 0.3147 0.3118
Schistosoma mansoni hypothetical protein 0.0357 1 1
Entamoeba histolytica hypothetical protein 0.0042 0.0322 0.11
Brugia malayi jmjC domain containing protein 0.0036 0.0136 0.0159
Loa Loa (eye worm) hypothetical protein 0.0091 0.1825 0.1791
Schistosoma mansoni DNA polymerase eta 0.0048 0.0501 0.0462
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0091 0.1825 0.4692
Echinococcus multilocularis jumonji domain containing 1A 0.0036 0.0136 0.0095
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.2587 1
Echinococcus multilocularis lysine specific demethylase 6a 0.0036 0.0136 0.0095
Schistosoma mansoni peptidylglycine monooxygenase 0.0119 0.2711 0.2681
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0134 0.3147 0.3118
Brugia malayi hypothetical protein 0.0175 0.4421 0.7409
Schistosoma mansoni 6-phosphofructokinase 0.0115 0.2587 0.2556
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0059 0.0866 0.1193
Brugia malayi 6-phosphofructokinase 0.0115 0.2587 0.4306
Echinococcus granulosus peptidase Clp S14 family 0.0059 0.0866 0.0828
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0061 0.0903 0.1458
Plasmodium vivax JmjC domain containing protein 0.0036 0.0136 0.0743
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0322 0.0281
Loa Loa (eye worm) hypothetical protein 0.0036 0.0136 0.0095
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0036 0.0136 0.0095
Schistosoma mansoni phosphatidylserine receptor 0.0036 0.0136 0.0095
Brugia malayi phosphofructokinase 0.0115 0.2587 0.4306
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0135 0.3178 0.3149
Brugia malayi Matrixin family protein 0.0097 0.2015 0.3338
Leishmania major ATP-dependent phosphofructokinase 0.0115 0.2587 0.786
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0091 0.1825 0.5564
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0146 0.3513 0.3486
Brugia malayi jmjC domain containing protein 0.0134 0.3147 0.5254
Entamoeba histolytica phosphofructokinase, putative 0.0115 0.2587 1
Entamoeba histolytica hypothetical protein 0.0042 0.0322 0.11
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0357 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0091 0.1825 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0138 0.328 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0271 0.023
Schistosoma mansoni 6-phosphofructokinase 0.0115 0.2587 0.2556
Entamoeba histolytica hypothetical protein 0.0042 0.0322 0.11
Echinococcus multilocularis lysine specific demethylase 5A 0.0134 0.3147 0.3118
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0115 0.2587 0.7472
Loa Loa (eye worm) matrixin family protein 0.0097 0.2015 0.1981
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0059 0.0866 0.3347
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0091 0.1825 1
Entamoeba histolytica hypothetical protein 0.0042 0.0322 0.11
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0225 0.5952 0.5935
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0091 0.1825 0.1791
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0091 0.1825 0.1791
Loa Loa (eye worm) hypothetical protein 0.0119 0.2711 0.2681
Mycobacterium ulcerans aldehyde dehydrogenase 0.0138 0.328 1
Leishmania major DNA polymerase eta, putative 0.0033 0.0067 0.0079
Echinococcus granulosus importin subunit beta 1 0.0033 0.0067 0.0026
Toxoplasma gondii small ubiquitin family modifier, putative 0.0033 0.0042 0.0127
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0091 0.1825 0.5
Brugia malayi jmjC domain containing protein 0.0036 0.0136 0.0159
Loa Loa (eye worm) 6-phosphofructokinase 0.0115 0.2587 0.2556
Brugia malayi hypothetical protein 0.0042 0.0322 0.0474
Entamoeba histolytica phosphofructokinase, putative 0.0115 0.2587 1
Loa Loa (eye worm) phosphofructokinase 0.0115 0.2587 0.2556
Loa Loa (eye worm) hypothetical protein 0.0048 0.0501 0.0462
Mycobacterium ulcerans aldehyde dehydrogenase 0.0138 0.328 1
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0067 0.0026
Schistosoma mansoni importin beta-1 0.0033 0.0067 0.0026
Echinococcus granulosus JmjC domain containing protein 4 0.0036 0.0136 0.0095
Leishmania major DNA polymerase eta, putative 0.0048 0.0501 0.142
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0059 0.0849 0.1366
Schistosoma mansoni dopamine-beta-monooxygenase 0.0119 0.2711 0.2681
Brugia malayi jmjC domain containing protein 0.0036 0.0136 0.0159
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0138 0.328 0.3252
Brugia malayi Matrixin family protein 0.004 0.0271 0.0388
Schistosoma mansoni hypothetical protein 0.0057 0.0785 0.0746
Brugia malayi ImpB/MucB/SamB family protein 0.0048 0.0501 0.0778
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0322 0.0281
Loa Loa (eye worm) matrix metalloproteinase 0.004 0.0271 0.023
Brugia malayi Hemopexin family protein 0.0057 0.0785 0.1257
Echinococcus granulosus phd:f box containing protein 0.0036 0.0136 0.0095
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.2587 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0136 0.0095
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0091 0.1825 0.5
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0033 0.0067 0.0205

Activities

Activity type Activity value Assay description Source Reference
logP (ADMET) = -1.9 Partition coefficient (logP) ChEMBL. 15801847
logP (ADMET) = -0.11 Partition coefficient (logP) ChEMBL. 15801847
Specificity (binding) = 65 % Specificity for rat brain acetylcholinesterase as rate of hydrolysis using BW284c51 ChEMBL. 15801847
Total rate (ADMET) = 0.1 1/min First-order hydrolysis rate constant in rat cerebral cortical homogenate at a unit tissue concentration (g/mL) without inhibitor ChEMBL. 15801847

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

1 literature reference was collected for this gene.

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