Detailed information for compound 1475811

Basic information

Technical information
  • TDR Targets ID: 1475811
  • Name: 2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2 -carboxylate
  • MW: 287.354 | Formula: C17H21NO3
  • H donors: 0 H acceptors: 1 LogP: 3.76 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1oc2c(c1C)cccc2)OCCN1CCCCC1
  • InChi: 1S/C17H21NO3/c1-13-14-7-3-4-8-15(14)21-16(13)17(19)20-12-11-18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-12H2,1H3
  • InChiKey: OWLIVQIGRFUEDC-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(1-piperidyl)ethyl 3-methylbenzofuran-2-carboxylate
  • 3-methyl-2-benzofurancarboxylic acid 2-(1-piperidyl)ethyl ester
  • 3-methylbenzofuran-2-carboxylic acid 2-piperidinoethyl ester
  • Oprea1_099231
  • 2-(1-piperidinyl)ethyl 3-methyl-1-benzofuran-2-carboxylate
  • Oprea1_113638
  • BAS 00232857
  • STOCK3S-19701
  • AG-690/34444006

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
Entamoeba histolytica protein kinase domain containing protein 0.0168 0.0583 1
Loa Loa (eye worm) plexin A 0.0791 0.6032 1
Loa Loa (eye worm) hypothetical protein 0.028 0.1557 0.251
Schistosoma mansoni hypothetical protein 0.0122 0.0184 0.0371
Echinococcus multilocularis exocyst complex component 2 0.0122 0.0184 0.0305
Brugia malayi plexin A 0.0791 0.6032 1
Loa Loa (eye worm) hypothetical protein 0.0669 0.4961 0.8208
Schistosoma mansoni plexin 0.0389 0.2518 0.5075
Loa Loa (eye worm) hypothetical protein 0.0122 0.0184 0.0212
Schistosoma mansoni tyrosine kinase 0.0218 0.1019 0.2053
Schistosoma mansoni fibrocystin l 0.0122 0.0184 0.0371
Echinococcus granulosus epidermal growth factor receptor 0.0368 0.2329 0.2329
Loa Loa (eye worm) sema domain-containing protein 0.028 0.1557 0.251
Schistosoma mansoni tyrosine kinase 0.0147 0.0402 0.0809
Echinococcus granulosus semaphorin 1A 0.028 0.1557 0.1557
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.0184 0.5
Schistosoma mansoni tyrosine kinase 0.0147 0.0402 0.0809
Loa Loa (eye worm) hypothetical protein 0.028 0.1557 0.251
Wolbachia endosymbiont of Brugia malayi (3R)-hydroxymyristoyl-ACP dehydratase 0.0235 0.1171 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0122 0.0184 0.5
Echinococcus multilocularis roundabout 2 0.0108 0.0058 0.0096
Echinococcus granulosus insulin receptor 0.0147 0.0402 0.0402
Echinococcus multilocularis plexin a4 0.0791 0.6032 1
Echinococcus multilocularis transcription factor collier 0.0122 0.0184 0.0305
Loa Loa (eye worm) hypothetical protein 0.0122 0.0184 0.0212
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.0184 0.5
Brugia malayi Protein kinase domain containing protein 0.0147 0.0402 0.0372
Loa Loa (eye worm) hypothetical protein 0.028 0.1557 0.251
Schistosoma mansoni hypothetical protein 0.0389 0.2518 0.5075
Schistosoma mansoni hypothetical protein 0.028 0.1557 0.3138
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.0184 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0122 0.0184 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.044 0.2958 0.4855
Brugia malayi Sema domain containing protein 0.028 0.1557 0.2348
Echinococcus multilocularis epidermal growth factor receptor 0.0368 0.2329 0.3862
Echinococcus granulosus plexin a4 0.0791 0.6032 0.6032
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0147 0.0402 0.0666
Brugia malayi Plexin repeat family protein 0.0669 0.4961 0.8169
Loa Loa (eye worm) hypothetical protein 0.028 0.1557 0.251
Schistosoma mansoni semaphorin 5-related 0.028 0.1557 0.3138
Plasmodium vivax beta-hydroxyacyl-ACP dehydratase precursor, putative 0.0235 0.1171 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.0184 0.5
Echinococcus multilocularis hypothetical protein 0.028 0.1557 0.2581
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.0184 0.5
Onchocerca volvulus 0.03 0.1736 0.0525
Chlamydia trachomatis 3-hydroxyacyl-ACP dehydratase 0.0235 0.1171 0.5
Echinococcus multilocularis insulin receptor 0.0147 0.0402 0.0666
Schistosoma mansoni hypothetical protein 0.0122 0.0184 0.0371
Onchocerca volvulus Tyrosine kinase homolog 0.0359 0.2255 0.2049
Brugia malayi Sema domain containing protein 0.028 0.1557 0.2348
Loa Loa (eye worm) hypothetical protein 0.028 0.1557 0.251
Schistosoma mansoni plexin 0.0669 0.4961 1
Schistosoma mansoni tyrosine kinase 0.0172 0.062 0.1249
Loa Loa (eye worm) hypothetical protein 0.028 0.1557 0.251
Echinococcus granulosus transcription factor collier 0.0122 0.0184 0.0184
Brugia malayi Immunoglobulin I-set domain containing protein 0.044 0.2958 0.4743
Loa Loa (eye worm) hypothetical protein 0.0389 0.2518 0.4118
Schistosoma mansoni tyrosine kinase 0.0172 0.062 0.1249
Loa Loa (eye worm) TK/INSR protein kinase 0.0147 0.0402 0.0576
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0122 0.0184 0.5
Loa Loa (eye worm) sema domain-containing protein 0.028 0.1557 0.251
Echinococcus granulosus semaphorin 5B 0.028 0.1557 0.1557
Schistosoma mansoni hypothetical protein 0.028 0.1557 0.3138
Loa Loa (eye worm) TK/EGFR protein kinase 0.0368 0.2329 0.3803
Echinococcus granulosus roundabout 2 0.0108 0.0058 0.0058
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.0184 0.5
Loa Loa (eye worm) hypothetical protein 0.0122 0.0184 0.0212
Brugia malayi hypothetical protein 0.028 0.1557 0.2348
Echinococcus multilocularis epidermal growth factor receptor 0.0218 0.1019 0.1689
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0122 0.0184 0.5
Schistosoma mansoni tyrosine kinase 0.0368 0.2329 0.4695
Brugia malayi hypothetical protein 0.028 0.1557 0.2348
Onchocerca volvulus 0.0669 0.4961 1
Echinococcus granulosus epidermal growth factor receptor 0.0218 0.1019 0.1019
Plasmodium falciparum beta-hydroxyacyl-ACP dehydratase 0.0235 0.1171 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.0184 0.5
Entamoeba histolytica tyrosin kinase, putative 0.0168 0.0583 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0147 0.0402 0.0402
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0218 0.1019 0.1019
Schistosoma mansoni tyrosine kinase 0.0218 0.1019 0.2053
Brugia malayi Furin-like cysteine rich region family protein 0.0368 0.2329 0.3669
Echinococcus multilocularis semaphorin 5B 0.028 0.1557 0.2581
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0896 0.695 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.0184 0.0212
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0122 0.0184 0.5
Schistosoma mansoni tyrosine kinase 0.0172 0.062 0.1249
Echinococcus granulosus exocyst complex component 2 0.0122 0.0184 0.0184

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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