Detailed information for compound 1448412

Basic information

Technical information
  • TDR Targets ID: 1448412
  • Name: phenyl 4-methylpiperidine-1-carboxylate
  • MW: 219.28 | Formula: C13H17NO2
  • H donors: 0 H acceptors: 1 LogP: 2.97 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCN(CC1)C(=O)Oc1ccccc1
  • InChi: 1S/C13H17NO2/c1-11-7-9-14(10-8-11)13(15)16-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
  • InChiKey: WURIROSRKBPVMF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-methyl-1-piperidinecarboxylic acid phenyl ester
  • 4-methylpiperidine-1-carboxylic acid phenyl ester
  • 4-Methylpiperidine-1-carboxylic acid, phenyl ester
  • ZINC00209909
  • AG-690/15438137
  • MLS000684908
  • SMR000268385
  • phenyl 4-methyl-1-piperidinecarboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0127 0.2567 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0523 0.0525
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0528 0.5
Echinococcus granulosus serine:threonine protein kinase mig 15 0.043 0.9962 1
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.0127 0.2567 0.2576
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0127 0.2567 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0129 0.2605 0.3778
Echinococcus multilocularis geminin 0.0205 0.4463 0.6474
Schistosoma mansoni protein kinase 0.0129 0.2605 0.2605
Schistosoma mansoni hypothetical protein 0.0205 0.4463 0.4463
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0528 0.053
Brugia malayi hypothetical protein 0.0127 0.2567 0.2567
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0127 0.2567 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.4271 0.6194
Schistosoma mansoni hypothetical protein 0.0043 0.0523 0.0523
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0528 0.0766
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0129 0.2605 0.3778
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0129 0.2605 0.3778
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.0129 0.2605 0.2615
Schistosoma mansoni alpha-glucosidase 0.0169 0.3601 0.3601
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.1492 0.1492
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.0127 0.2567 0.3723
Schistosoma mansoni hypothetical protein 0.0205 0.4463 0.4463
Schistosoma mansoni alpha-glucosidase 0.0169 0.3601 0.3601
Echinococcus granulosus geminin 0.0205 0.4463 0.4481
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0076 0.1321 0.1326
Loa Loa (eye worm) hypothetical protein 0.043 0.9962 1
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0127 0.2567 0.2567
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.1492 0.1492
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0528 0.5
Schistosoma mansoni protein kinase 0.0431 1 1
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0129 0.2605 0.2615
Loa Loa (eye worm) hypothetical protein 0.0127 0.2567 0.2576
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0071 0.1199 1
Echinococcus multilocularis 0.0304 0.6895 1
Echinococcus granulosus protein kinase 0.0304 0.6895 0.6921
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0076 0.1321 0.1326
Loa Loa (eye worm) hypothetical protein 0.0127 0.2567 0.2576
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0304 0.6895 0.6921
Schistosoma mansoni rap gtpase-activating protein 0.0127 0.2567 0.2567
Schistosoma mansoni serine/threonine protein kinase 0.0129 0.2605 0.2605
Schistosoma mansoni alpha glucosidase 0.0044 0.0528 0.0528
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0523 0.0759
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0528 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.4271 0.4271
Schistosoma mansoni vam6/vps39 related 0.0127 0.2567 0.2567
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0076 0.1321 0.1321
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0071 0.1199 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0528 0.053
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0528 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.4271 0.4287
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0528 0.0528
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0076 0.1321 0.1916
Schistosoma mansoni serine/threonine protein kinase 0.0129 0.2605 0.2605
Loa Loa (eye worm) hypothetical protein 0.0127 0.2567 0.2576
Brugia malayi Temporarily assigned gene name protein 59 0.0127 0.2567 0.2567
Schistosoma mansoni hypothetical protein 0.0127 0.2567 0.2567
Loa Loa (eye worm) hypothetical protein 0.0066 0.1075 0.108
Echinococcus granulosus Vam6:Vps39 protein 0.0127 0.2567 0.2576
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.4271 0.6194
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0129 0.2605 0.2615
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0127 0.2567 1
Brugia malayi hypothetical protein 0.0043 0.0523 0.0523
Schistosoma mansoni protein kinase 0.0304 0.6895 0.6895
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.4271 0.4287
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0523 0.0523
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0127 0.2567 0.2567
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0129 0.2605 0.2615
Brugia malayi Protein kinase domain containing protein 0.0129 0.2605 0.2605

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0731 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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