Detailed information for compound 625304

Basic information

Technical information
  • TDR Targets ID: 625304
  • Name: ethyl 4-[3-(2,6-dimethoxyphenoxy)-2-hydroxypr opyl]piperazine-1-carboxylate
  • MW: 368.425 | Formula: C18H28N2O6
  • H donors: 1 H acceptors: 2 LogP: 1.3 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)N1CCN(CC1)CC(COc1c(OC)cccc1OC)O
  • InChi: 1S/C18H28N2O6/c1-4-25-18(22)20-10-8-19(9-11-20)12-14(21)13-26-17-15(23-2)6-5-7-16(17)24-3/h5-7,14,21H,4,8-13H2,1-3H3
  • InChiKey: COTFHGVELOLMCK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 4-[3-(2,6-dimethoxyphenoxy)-2-hydroxy-propyl]piperazine-1-carboxylate
  • 4-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-1-piperazinecarboxylic acid ethyl ester
  • 4-[3-(2,6-dimethoxyphenoxy)-2-hydroxy-propyl]piperazine-1-carboxylic acid ethyl ester
  • IDI1_020951
  • Oprea1_219330
  • Oprea1_267303
  • ChemDiv3_001985
  • AF-399/15128688

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
Brugia malayi Sugar transporter family protein 0.0107 0.216 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0493 0.8107
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0493 0.1973
Toxoplasma gondii protein kinase, putative 0.0301 0.6571 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0484 0.1927
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0515 0.2077
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0101 0.0082
Leishmania major glucose transporter, lmgt1 0.0033 0.0493 0.8107
Leishmania major lysyl-tRNA synthetase, putative 0.0024 0.0283 0.395
Loa Loa (eye worm) sugar transporter 0.0015 0.0084 0.0199
Schistosoma mansoni hypothetical protein 0.0016 0.0101 0.0082
Onchocerca volvulus 0.0015 0.0084 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.0101 0.0082
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0107 0.216 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Entamoeba histolytica protein kinase, putative 0.0033 0.0484 1
Echinococcus granulosus lysyl tRNA synthetase 0.0024 0.0283 0.0961
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0484 0.1927
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0033 0.0484 0.7919
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0484 0.1927
Onchocerca volvulus 0.0015 0.0084 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0107 0.216 1
Schistosoma mansoni hypothetical protein 0.0016 0.0101 0.0082
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0032 0.0469 0.1855
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0107 0.216 1
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0493 0.1973
Onchocerca volvulus 0.0015 0.0084 0.5
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0015 0.0084 0.5
Brugia malayi lysyl-tRNA synthetase 0.0024 0.0283 0.0961
Loa Loa (eye worm) hypothetical protein 0.0024 0.0283 0.1141
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0589 1
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0202 1
Echinococcus granulosus General substrate transporter 0.0092 0.1821 0.8364
Onchocerca volvulus 0.0015 0.0084 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0101 0.028
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0589 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0107 0.216 1
Trichomonas vaginalis conserved hypothetical protein 0.0107 0.216 1
Schistosoma mansoni glucose transport protein 0.0107 0.216 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0515 0.2234
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0493 0.8107
Plasmodium falciparum calcium-dependent protein kinase 3 0.0033 0.0484 0.0404
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0172 0.3649 0.5495
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0484 0.1927
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0872 0.3795
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.8107
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0015 0.0084 0.2954
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0493 0.1973
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.8107
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0107 0.216 1
Plasmodium falciparum protein kinase 7 0.0301 0.6571 0.6542
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0033 0.0484 0.1927
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0033 0.0484 0.2088
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0032 0.0469 0.1855
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0037 0.0589 0.0779
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0589 1
Toxoplasma gondii lysine-tRNA ligase 0.0024 0.0283 0.0308
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0033 0.0484 0.0404
Plasmodium falciparum proline--tRNA ligase 0.0037 0.0589 0.051
Plasmodium falciparum lysine--tRNA ligase 0.0024 0.0283 0.0201
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0484 0.1927
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0283 0.0961
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0033 0.0484 0.0617
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0033 0.0484 0.0404
Echinococcus granulosus calcium dependent protein kinase 0.0031 0.0438 0.1707
Plasmodium vivax proline--tRNA ligase, putative 0.0037 0.0589 0.051
Plasmodium falciparum calcium-dependent protein kinase 5 0.0033 0.0484 0.0404
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0589 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0101 0.0082
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0107 0.216 1
Onchocerca volvulus 0.0015 0.0084 0.5
Entamoeba histolytica protein kinase, putative 0.0033 0.0484 1
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0033 0.0484 0.0617
Onchocerca volvulus 0.0015 0.0084 0.5
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0493 0.8107
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0107 0.216 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0172 0.3649 0.3595
Plasmodium falciparum hexose transporter 0.0107 0.216 0.2094
Loa Loa (eye worm) hypothetical protein 0.0026 0.0333 0.1375
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.8107
Onchocerca volvulus 0.0015 0.0084 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.0515 0.2077
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.8107
Leishmania major protein kinase, putative 0.0033 0.0484 0.7919
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0024 0.0283 0.395
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.0202 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0469 0.2017
Onchocerca volvulus 0.0015 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Trichomonas vaginalis CAMK family protein kinase 0.0033 0.0484 0.1927
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0084 0.0199
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0033 0.0484 0.0617
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0033 0.0484 0.0404
Loa Loa (eye worm) sugar transporter 0.0107 0.216 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0493 0.8107
Schistosoma mansoni hypothetical protein 0.0107 0.216 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0101 0.0082
Schistosoma mansoni hypothetical protein 0.0016 0.0101 0.0082
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0493 0.1973
Plasmodium falciparum mitogen-activated protein kinase 2 0.0172 0.3649 0.3595
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Onchocerca volvulus 0.0015 0.0084 0.5
Onchocerca volvulus 0.0015 0.0084 0.5
Plasmodium vivax lysine--tRNA ligase, putative 0.0024 0.0283 0.0201
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0484 0.1927
Brugia malayi Cam kinase protein 1 0.0033 0.0484 0.1927
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0107 0.216 1
Echinococcus granulosus GPCR family 2 0.0016 0.0101 0.0082
Chlamydia trachomatis lysine--tRNA ligase 0.0024 0.0283 1
Onchocerca volvulus 0.0015 0.0084 0.5
Onchocerca volvulus 0.0015 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0493 0.1973
Toxoplasma gondii facilitative glucose transporter GT1 0.0107 0.216 0.3201
Trypanosoma cruzi hexose transporter 0.0033 0.0493 0.8107
Trypanosoma brucei glucose transporter 1E 0.0033 0.0493 0.8107
Plasmodium falciparum calcium-dependent protein kinase 1 0.0033 0.0484 0.0404
Plasmodium falciparum calcium-dependent protein kinase 4 0.0033 0.0484 0.0404
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0033 0.0484 0.1927
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0032 0.0469 0.1855
Schistosoma mansoni protein kinase 0.0033 0.0484 0.1927
Onchocerca volvulus 0.0015 0.0084 0.5
Mycobacterium ulcerans sugar transporter 0.0015 0.0084 0.2954
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0493 0.1973
Echinococcus multilocularis General substrate transporter 0.0092 0.1821 0.8364
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0283 1
Trypanosoma brucei glucose transporter 2A 0.0033 0.0493 0.8107
Plasmodium vivax CDK-related protein kinase 6, putative 0.0452 1 1
Echinococcus multilocularis calcium dependent protein kinase 0.0031 0.0438 0.1707
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0872 0.3795
Plasmodium vivax hexose transporter 0.0107 0.216 0.2094
Plasmodium falciparum calcium-dependent protein kinase 2 0.0033 0.0484 0.0404
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0033 0.0484 0.2088
Giardia lamblia Lysyl-tRNA synthetase 0.0024 0.0283 0.5182
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0283 0.0961
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0469 0.1855
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0283 1
Schistosoma mansoni glucose transport protein 0.0107 0.216 1
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0589 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0101 0.0082
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0493 0.1973
Trypanosoma cruzi hexose transporter, putative 0.0018 0.0154 0.1383
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0032 0.0469 0.9253
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.8107
Onchocerca volvulus 0.0015 0.0084 0.5
Treponema pallidum prolyl-tRNA synthetase 0.0011 0 0.5
Mycobacterium ulcerans integral membrane transport protein 0.0015 0.0084 0.2954
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0101 0.0082
Loa Loa (eye worm) hypothetical protein 0.0033 0.0484 0.2088
Schistosoma mansoni protein kinase 0.0033 0.0484 0.1927
Plasmodium vivax calcium-dependent protein kinase, putative 0.0033 0.0484 0.0404
Onchocerca volvulus 0.0015 0.0084 0.5
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.8107
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0084 0.0199
Loa Loa (eye worm) hypothetical protein 0.0032 0.0469 0.2017
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0101 0.0082
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0101 0.0082
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0484 0.1927
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0024 0.0283 0.395
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0015 0.0084 0.2954
Leishmania major glucose transporter/membrane transporter D2, putative 0.0033 0.0493 0.8107
Schistosoma mansoni glucose transport protein 0.0107 0.216 1
Giardia lamblia Prolyl-tRNA synthetase 0.0032 0.0469 1
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.8107
Leishmania major glucose transporter, lmgt3 0.0033 0.0493 0.8107
Onchocerca volvulus 0.0015 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Loa Loa (eye worm) hypothetical protein 0.0016 0.0101 0.028
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0032 0.0469 0.1855
Leishmania major glucose transporter, lmgt2 0.0033 0.0493 0.8107
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0493 0.8107
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0032 0.0469 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0484 0.1927
Schistosoma mansoni protein kinase 0.0033 0.0484 0.1927
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0032 0.0469 0.1855
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0021 0.0217 0.0641
Loa Loa (eye worm) hypothetical protein 0.005 0.0872 0.3918
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.0283 0.0961
Echinococcus multilocularis lysyl tRNA synthetase 0.0024 0.0283 0.0961
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0493 0.8107
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0024 0.0283 0.3046
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0872 0.3918
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0469 0.1855
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.8107
Onchocerca volvulus Putative transporter 0.0015 0.0084 0.5

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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