Detailed information for compound 539968

Basic information

Technical information
  • TDR Targets ID: 539968
  • Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl )-4-piperidyl]amino]-3-(1-naphthyloxy)propan- 2-ol
  • MW: 448.554 | Formula: C27H32N2O4
  • H donors: 2 H acceptors: 1 LogP: 4.17 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(COc1cccc2c1cccc2)CNC1CCN(CC1)CC1COc2c(O1)cccc2
  • InChi: 1S/C27H32N2O4/c30-22(18-31-25-11-5-7-20-6-1-2-8-24(20)25)16-28-21-12-14-29(15-13-21)17-23-19-32-26-9-3-4-10-27(26)33-23/h1-11,21-23,28,30H,12-19H2
  • InChiKey: HOEMMUQEOHEDHC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[[1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-piperidinyl]amino]-3-(1-naphthalenyloxy)-2-propanol
  • 1-[[1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)piperidin-4-yl]amino]-3-naphthalen-1-yloxy-propan-2-ol
  • 1-[[1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-piperidyl]amino]-3-(1-naphthoxy)propan-2-ol
  • 1-[[1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)piperidin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
  • 1-(1-(2-benzodioxanylmethyl)-4-piperidiyl)amino-3-(1-naphthoxy)-2-propanol
  • 1-[[1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-piperidinyl]amino]-3-(1-naphthyloxy)propan-2-ol
  • 131184-64-0
  • 2-Propanol, 1-((1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-piperidinyl)amino)-3-(1-naphthalenyloxy)-, (R-(R*,R*))-
  • BPANP

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
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0056 0.2078 0.5
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.1888 0.1888
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0056 0.2078 0.2078
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0056 0.2078 1
Leishmania major polyprenyl synthase, putative 0.0226 1 1
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0056 0.2078 0.2078
Brugia malayi MAP kinase sur-1 0.0051 0.1888 0.1888
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0056 0.2078 0.5
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0056 0.2078 0.5
Mycobacterium ulcerans polyprenyl synthetase IdsB 0.0056 0.2078 1
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0226 1 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0056 0.2078 1
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0056 0.2078 0.2078
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0056 0.2078 0.2078
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.2593 0.2593
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.2593 0.2593
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.5091 0.5091
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0056 0.2078 0.2078
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.1888 0.7282
Trypanosoma cruzi polyprenyl synthase, putative 0.0226 1 1
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0056 0.2078 1
Treponema pallidum octaprenyl-diphosphate synthase 0.0226 1 0.5
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0226 1 1
Mycobacterium tuberculosis Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate 0.0056 0.2078 1
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0056 0.2078 0.5
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0056 0.2078 0.8013
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.1888 0.1888
Loa Loa (eye worm) cytochrome P450 family protein 0.0049 0.1786 0.1786
Loa Loa (eye worm) polyprenyl synthetase 0.0056 0.2078 0.2078
Leishmania major farnesyl pyrophosphate synthase 0.0056 0.2078 0.2078
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0226 1 1
Loa Loa (eye worm) polyprenyl synthetase 0.0056 0.2078 0.2078
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.2593 0.2593
Leishmania major solanesyl-diphosphate synthase, putative 0.0056 0.2078 0.2078
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.2593 0.2593
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.1888 0.1888
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.5091 0.5091
Schistosoma mansoni glutathione synthetase 0.0056 0.2078 0.2078
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.1888 0.1888
Mycobacterium tuberculosis Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase) 0.0056 0.2078 1
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0056 0.2078 0.2078
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.2593 0.2593
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.1888 0.9088
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0056 0.2078 0.2078
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.2593 0.2593
Schistosoma mansoni trans-prenyltransferase 0.0056 0.2078 0.2078
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0056 0.2078 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.1888 0.1888
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0056 0.2078 0.8013
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.1888 0.1888
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.1292 0.1292
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0056 0.2078 1
Giardia lamblia Farnesyl diphosphate synthase 0.0056 0.2078 1
Trypanosoma cruzi polyprenyl synthase, putative 0.0226 1 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0056 0.2078 0.5
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.2593 0.2593
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0056 0.2078 0.2078
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.1888 0.1888
Brugia malayi MH2 domain containing protein 0.0121 0.5091 0.5091
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0056 0.2078 0.2078
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0056 0.2078 0.2078
Brugia malayi Polyprenyl synthetase family protein 0.0056 0.2078 0.2078
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.0056 0.2078 1
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0056 0.2078 0.2078
Brugia malayi Polyprenyl synthetase family protein 0.0056 0.2078 0.2078
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0056 0.2078 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.2593 0.2593
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.1888 0.1888
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0226 1 1
Echinococcus granulosus transcription factor Dp 1 0.0039 0.1292 0.1292
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0056 0.2078 1
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0056 0.2078 0.5
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.2593 1
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.1888 0.1888
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0056 0.2078 0.2078
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.2593 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0056 0.2078 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.1888 0.1888
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.1888 0.1888
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.1888 0.1888
Mycobacterium tuberculosis Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase) 0.0056 0.2078 1
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0056 0.2078 0.5
Trypanosoma brucei protein kinase, putative 0.0051 0.1888 0.7282
Brugia malayi Cytochrome P450 family protein 0.0049 0.1786 0.1786
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0056 0.2078 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.