Detailed information for compound 1469389

Basic information

Technical information
  • TDR Targets ID: 1469389
  • Name: 1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-ca rboxylate
  • MW: 287.354 | Formula: C17H21NO3
  • H donors: 0 H acceptors: 1 LogP: 3.83 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OC(=O)c1cc2c(o1)cccc2)CN1CCCCC1
  • InChi: 1S/C17H21NO3/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
  • InChiKey: OWDXBQVUGZSYIG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [1-methyl-2-(1-piperidyl)ethyl] benzofuran-2-carboxylate
  • 2-benzofurancarboxylic acid [1-methyl-2-(1-piperidyl)ethyl] ester
  • benzofuran-2-carboxylic acid (1-methyl-2-piperidino-ethyl) ester
  • Oprea1_031572
  • Oprea1_275559
  • BAS 03335122
  • STK009653

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
Mycobacterium ulcerans glutaminase 0.0269 0.2665 0.2586
Loa Loa (eye worm) glutaminase 2 0.0269 0.2665 1
Schistosoma mansoni cellular tumor antigen P53 0.0099 0.0803 0.2715
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0109 0.4754
Schistosoma mansoni alpha-glucosidase 0.0138 0.123 0.4384
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0939 1 0.5
Echinococcus multilocularis tumor protein p63 0.0676 0.7121 0.8404
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0239 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.0239 0.1374
Leishmania major trypanothione reductase 0.0047 0.0229 0.9576
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0239 0.0133
Loa Loa (eye worm) hypothetical protein 0.0035 0.0107 0.0403
Toxoplasma gondii thioredoxin reductase 0.0047 0.0229 1
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0239 0.0895
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.0881 0.0802
Entamoeba histolytica fatty acid elongase, putative 0.0122 0.1054 1
Plasmodium vivax glutathione reductase, putative 0.0047 0.0229 0.0229
Entamoeba histolytica fatty acid elongase, putative 0.0122 0.1054 1
Trichomonas vaginalis glutaminase, putative 0.0269 0.2665 1
Onchocerca volvulus 0.0099 0.0803 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.0881 0.0802
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0939 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.0881 0.0802
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.1474 0.553
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.1011 0.0932
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0239 0.0133
Trypanosoma brucei glucosidase, putative 0.0036 0.0109 0.4754
Brugia malayi glutathione reductase 0.0047 0.0229 0.0857
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0109 0.4553
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0239 0.0895
Loa Loa (eye worm) hypothetical protein 0.0047 0.0239 0.0895
Brugia malayi glutaminase DH11.1 0.0269 0.2665 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0107 0.0403
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0239 1
Brugia malayi Cytochrome P450 family protein 0.0029 0.0039 0.0147
Loa Loa (eye worm) hypothetical protein 0.0047 0.0239 0.0895
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.1011 1
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0229 0.0229
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.0107 0.0107
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.1474 0.553
Schistosoma mansoni glutaminase 0.0269 0.2665 1
Entamoeba histolytica fatty acid elongase, putative 0.0122 0.1054 1
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0939 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.0239 0.0154
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.1474 0.1947
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0229 0.0857
Entamoeba histolytica fatty acid elongase, putative 0.0122 0.1054 1
Schistosoma mansoni alpha-glucosidase 0.0138 0.123 0.4384
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0047 0.0239 0.0133
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0239 0.0133
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0939 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0109 0.0408
Plasmodium falciparum thioredoxin reductase 0.0047 0.0229 0.0229
Loa Loa (eye worm) glutathione reductase 0.0047 0.0229 0.0857
Loa Loa (eye worm) hypothetical protein 0.0035 0.0107 0.0403
Entamoeba histolytica acyl-coA synthetase, putative 0.0047 0.0239 0.1374
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0939 1 1
Loa Loa (eye worm) glutaminase 0.0269 0.2665 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.0881 0.8321
Loa Loa (eye worm) hypothetical protein 0.0035 0.0107 0.0403
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0229 0.0144
Loa Loa (eye worm) hypothetical protein 0.0099 0.0803 0.3012
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0047 0.0239 0.0133
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.0881 0.0802
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0047 0.0239 0.0133
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0229 0.0144
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1474 0.1636
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0109 0.0408
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0939 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1474 0.1636
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0229 0.0171
Mycobacterium tuberculosis Probable reductase 0.0106 0.0881 0.0802
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.1011 0.0932
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0109 0.4754
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0239 0.0895
Loa Loa (eye worm) hypothetical protein 0.0047 0.0239 0.0895
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.1011 0.0932
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0798 0.8452 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0107 0.0403
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0047 0.0239 0.0154
Brugia malayi Thioredoxin reductase 0.0047 0.0229 0.0857
Plasmodium falciparum glutathione reductase 0.0047 0.0229 0.0229
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0229 1
Entamoeba histolytica fatty acid elongase, putative 0.0122 0.1054 1
Onchocerca volvulus 0.0093 0.0734 0.8785
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0039 0.0147
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.0107 0.0107
Mycobacterium ulcerans hypothetical protein 0.0047 0.0239 0.0133
Trypanosoma brucei trypanothione reductase 0.0047 0.0229 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0239 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0109 0.4754
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.0239 0.1374
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0107 0.0021
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.0881 0.0802
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0939 1 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0047 0.0239 0.0133
Echinococcus granulosus tumor protein p63 0.0676 0.7121 1

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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