Detailed information for compound 1479859

Basic information

Technical information
  • TDR Targets ID: 1479859
  • Name: 3-phenylpropyl 2-(1-methylpiperidin-1-ium-1-y l)acetate
  • MW: 276.394 | Formula: C17H26NO2+
  • H donors: 0 H acceptors: 1 LogP: 3.36 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C[N+]1(C)CCCCC1)OCCCc1ccccc1
  • InChi: 1S/C17H26NO2/c1-18(12-6-3-7-13-18)15-17(19)20-14-8-11-16-9-4-2-5-10-16/h2,4-5,9-10H,3,6-8,11-15H2,1H3/q+1
  • InChiKey: MGXIJIYRPJRZOI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(1-methyl-1-piperidin-1-iumyl)acetic acid 3-phenylpropyl ester
  • 2-(1-methylpiperidin-1-ium-1-yl)acetic acid 3-phenylpropyl ester
  • 3-phenylpropyl 2-(1-methylpiperidin-1-ium-1-yl)ethanoate
  • STK018584
  • 1-Methyl-1-(3-phenyl-propoxycarbonylmethyl)-piperidinium
  • BAS 02643657
  • Enamine_001557

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
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.0265 0.0395
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0019 0 0.5
Plasmodium falciparum histone deacetylase 1 0.0534 0.6716 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.0265 0.0265
Giardia lamblia Histone deacetylase 0.0534 0.6716 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0534 0.6716 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0019 0 0.5
Trypanosoma brucei histone deacetylase 4 0.0343 0.4227 0.6295
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.0121 1
Trichomonas vaginalis histone deacetylase, putative 0.0534 0.6716 1
Schistosoma mansoni voltage-gated potassium channel 0.0043 0.0312 0.0465
Leishmania major histone deacetylase, putative 0.0343 0.4227 0.6295
Schistosoma mansoni histone deacetylase 4 5 0.0343 0.4227 0.6295
Loa Loa (eye worm) hypothetical protein 0.0534 0.6716 0.6716
Leishmania major cytochrome p450-like protein 0.0028 0.0121 0.018
Trichomonas vaginalis histone deacetylase, putative 0.0534 0.6716 1
Mycobacterium leprae Conserved hypothetical protein 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0258 0.3112 0.3112
Trypanosoma cruzi histone deacetylase, putative 0.0258 0.3112 0.4633
Loa Loa (eye worm) histone deacetylase 3 0.0534 0.6716 0.6716
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0528 0.0528
Toxoplasma gondii histone deacetylase HDAC4 0.0786 1 1
Plasmodium vivax histone deacetylase 1, putative 0.0534 0.6716 0.4311
Echinococcus granulosus histone deacetylase 6 0.0362 0.4472 0.6658
Brugia malayi Histone deacetylase family protein 0.0343 0.4227 0.4227
Entamoeba histolytica histone deacetylase, putative 0.0534 0.6716 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0534 0.6716 1
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0121 0.018
Brugia malayi Cytochrome P450 family protein 0.0028 0.0121 0.0121
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0019 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0019 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0028 0.0121 0.0121
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0019 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0019 0 0.5
Leishmania major histone deacetylase, putative 0.0534 0.6716 1
Echinococcus granulosus histone deacetylase 6 0.0343 0.4227 0.6295
Schistosoma mansoni histone deacetylase 0.0534 0.6716 1
Echinococcus multilocularis histone deacetylase 6 0.0343 0.4227 0.6295
Loa Loa (eye worm) histone deacetylase 0.0343 0.4227 0.4227
Schistosoma mansoni histone deacetylase 4 5 0.0343 0.4227 0.6295
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0019 0 0.5
Echinococcus multilocularis histone deacetylase 1 0.0534 0.6716 1
Echinococcus multilocularis histone deacetylase 8 0.0258 0.3112 0.4633
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0019 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0019 0 0.5
Trypanosoma cruzi histone deacetylase 1, putative 0.0534 0.6716 1
Echinococcus multilocularis histone deacetylase 6 0.0362 0.4472 0.6658
Loa Loa (eye worm) histone deacetylase 11 0.0786 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0534 0.6716 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0019 0 0.5
Trypanosoma brucei histone deacetylase 3 0.0343 0.4227 0.6295
Toxoplasma gondii histone deacetylase HDAC1 0.0343 0.4227 0.4227
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0198 0.0198
Schistosoma mansoni histone deacetylase hda2 0.0362 0.4472 0.6658
Brugia malayi Cytochrome P450 family protein 0.0059 0.0528 0.0528
Trypanosoma cruzi histone deacetylase, putative 0.0343 0.4227 0.6295
Brugia malayi histone deacetylase 3 (HD3) 0.0534 0.6716 0.6716
Trypanosoma brucei histone deacetylase, putative 0.0343 0.4227 0.6295
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.0265 0.0395
Echinococcus granulosus histone deacetylase 1 0.0534 0.6716 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0258 0.3112 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.0265 0.0265
Trypanosoma brucei histone deacetylase 2 0.0258 0.3112 0.4633
Schistosoma mansoni voltage-gated potassium channel 0.0043 0.0312 0.0465
Leishmania major histone deacetylase, putative 0.0343 0.4227 0.6295
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0019 0 0.5
Mycobacterium leprae putative cytochrome p450 0.0019 0 0.5
Echinococcus granulosus histone deacetylase 3 0.0534 0.6716 1
Echinococcus multilocularis histone deacetylase 3 0.0534 0.6716 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0019 0 0.5
Echinococcus granulosus histone deacetylase 8 0.0258 0.3112 0.4633
Echinococcus multilocularis histone deacetylase 7 0.0343 0.4227 0.6295
Trypanosoma cruzi histone deacetylase, putative 0.0258 0.3112 0.4633
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0019 0 0.5
Echinococcus granulosus histone deacetylase 0.0343 0.4227 0.6295
Trypanosoma brucei histone deacetylase 1 0.0534 0.6716 1
Loa Loa (eye worm) hypothetical protein 0.0529 0.6644 0.6644
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0019 0 0.5
Loa Loa (eye worm) histone deacetylase 1 0.0534 0.6716 0.6716
Plasmodium vivax histone deacetylase, putative 0.0786 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0534 0.6716 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0534 0.6716 1
Schistosoma mansoni histone deacetylase 0.0534 0.6716 1
Schistosoma mansoni histone deacetylase hda2 0.0258 0.3112 0.4633
Echinococcus multilocularis histone deacetylase 6 0.0343 0.4227 0.6295
Toxoplasma gondii histone deacetylase HDAC2 0.0534 0.6716 0.6716
Echinococcus granulosus histone deacetylase 7 0.0343 0.4227 0.6295
Trichomonas vaginalis histone deacetylase, putative 0.0534 0.6716 1
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0121 0.018
Trypanosoma cruzi histone deacetylase, putative 0.0343 0.4227 0.6295
Echinococcus granulosus histone deacetylase 6 0.0343 0.4227 0.6295
Loa Loa (eye worm) histone deacetylase 7A 0.0343 0.4227 0.4227
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0104 0.1115 0.1115
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0121 0.0121
Brugia malayi Histone deacetylase family protein 0.0343 0.4227 0.4227
Trichomonas vaginalis histone deacetylase, putative 0.0534 0.6716 1
Brugia malayi histone deacetylase 1 (HD1) 0.0534 0.6716 0.6716
Loa Loa (eye worm) CYP4Cod1 0.0028 0.0121 0.0121
Loa Loa (eye worm) hypothetical protein 0.0086 0.0871 0.0871
Brugia malayi Histone deacetylase 1 0.0534 0.6716 0.6716
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0019 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0019 0 0.5
Leishmania major histone deacetylase, putative 0.0534 0.6716 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0121 0.0121
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0019 0 0.5
Schistosoma mansoni histone deacetylase 1 2 3 0.0258 0.3112 0.4633
Echinococcus multilocularis histone deacetylase 0.0343 0.4227 0.6295
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0534 0.6716 1
Toxoplasma gondii histone deacetylase HDAC5 0.0258 0.3112 0.3112
Trypanosoma brucei cytochrome P450, putative 0.0028 0.0121 0.018
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0019 0 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0343 0.4227 0.6295
Toxoplasma gondii histone deacetylase HDAC3 0.0534 0.6716 0.6716

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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