Detailed information for compound 1406345

Basic information

Technical information
  • TDR Targets ID: 1406345
  • Name: 1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-ca rboxylate hydrochloride
  • MW: 323.814 | Formula: C17H22ClNO3
  • H donors: 0 H acceptors: 1 LogP: 4.63 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OC(=O)c1cc2c(o1)cccc2)CN1CCCCC1.Cl
  • InChi: 1S/C17H21NO3.ClH/c1-13(12-18-9-5-2-6-10-18)20-17(19)16-11-14-7-3-4-8-15(14)21-16;/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3;1H
  • InChiKey: QXEONWKYHFPEFR-UHFFFAOYSA-N  

Network

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Synonyms

  • hydron; 1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate; chloride
  • hydron; [1-methyl-2-(1-piperidyl)ethyl] benzofuran-2-carboxylate; chloride
  • [1-methyl-2-(1-piperidyl)ethyl] benzofuran-2-carboxylate hydrochloride
  • 2-benzofurancarboxylic acid [1-methyl-2-(1-piperidyl)ethyl] ester; hydron; chloride
  • 2-benzofurancarboxylic acid [1-methyl-2-(1-piperidyl)ethyl] ester hydrochloride
  • benzofuran-2-carboxylic acid (1-methyl-2-piperidino-ethyl) ester; hydron; chloride
  • benzofuran-2-carboxylic acid (1-methyl-2-piperidino-ethyl) ester hydrochloride
  • Benzofuran-2-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester
  • MLS000072517
  • SMR000012225

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723

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
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.2711 0.5
Echinococcus granulosus lamin 0.0033 0.5086 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.5335 0.5335
Brugia malayi hypothetical protein 0.0025 0.2711 0.266
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.2711 0.5
Leishmania major hypothetical protein, conserved 0.0025 0.2711 0.5
Onchocerca volvulus 0.0033 0.5086 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.2711 0.5
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0522 0.0456
Loa Loa (eye worm) hypothetical protein 0.0025 0.2711 0.2711
Loa Loa (eye worm) hypothetical protein 0.0033 0.5086 0.5086
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.2711 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.2711 0.5
Echinococcus granulosus lamin dm0 0.0033 0.5086 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.5086 0.5051
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0522 0.0522
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.5086 0.5086
Echinococcus multilocularis musashi 0.0033 0.5086 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.5086 0.5086
Echinococcus multilocularis lamin dm0 0.0033 0.5086 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.2711 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.5335 0.5303
Schistosoma mansoni hypothetical protein 0.0033 0.5335 1
Brugia malayi intermediate filament protein 0.0033 0.5086 0.5051
Loa Loa (eye worm) hypothetical protein 0.0032 0.4906 0.4906
Onchocerca volvulus 0.0033 0.5086 0.5
Echinococcus granulosus intermediate filament protein 0.0033 0.5086 1
Echinococcus multilocularis lamin 0.0033 0.5086 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.2711 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 21.3313 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 (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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