Detailed information for compound 1477159

Basic information

Technical information
  • TDR Targets ID: 1477159
  • Name: 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)ethan amine
  • MW: 283.43 | Formula: C15H25NO2S
  • H donors: 1 H acceptors: 0 LogP: 3.49 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCSc1cc(OC)c(cc1OC)CCN
  • InChi: 1S/C15H25NO2S/c1-4-5-6-9-19-15-11-13(17-2)12(7-8-16)10-14(15)18-3/h10-11H,4-9,16H2,1-3H3
  • InChiKey: SPHRAOZAEYDNOD-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)ethanamine
  • 2-[2,5-dimethoxy-4-(pentylthio)phenyl]ethanamine
  • 2-[4-(amylthio)-2,5-dimethoxy-phenyl]ethylamine
  • AE-641/30177049

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
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0061 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.2914 0.2914
Toxoplasma gondii target of rapamycin (TOR), putative 0.0038 0.5101 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.5101 0.5101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.5655 0.5655
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0051 0.785 0.7683
Trypanosoma cruzi target of rapamycin kinase 3 0.0041 0.5664 0.5327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.5655 0.5655
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0061 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0719 0.0719
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0061 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.4086 0.4086
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0041 0.5664 0.5327
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.3468 0.3468
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0053 0.8228 0.809
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.3532 0.3532
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.3468 0.3468
Echinococcus multilocularis fk506 binding protein 0.0061 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.5655 0.5655
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0061 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.2906 0.2906
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0719 0.0719
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.6281 0.6281
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0061 1 0.5
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0061 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.5101 0.5101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.2906 0.2906
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0051 0.785 0.7683
Leishmania major fk506-binding protein 1-like protein 0.0061 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0051 0.785 0.7683
Trichomonas vaginalis fk506-binding protein, putative 0.0061 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.5101 0.5101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0719 0.0719
Trichomonas vaginalis immunophilin, putative 0.0061 1 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0061 1 1
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0061 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.3532 0.3532
Schistosoma mansoni immunophilin 0.0061 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0061 1 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0061 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.3532 0.3532
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0061 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.5655 0.5655
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0051 0.785 0.7683
Loa Loa (eye worm) phosphatidylinositol 3 0.0051 0.785 0.7683
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.4318 0.4318
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0061 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.785 0.785
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.5101 0.5101
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0053 0.8228 0.809
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0021 0.1578 0.0925
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0061 1 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0061 1 1
Leishmania major peptidylprolyl isomerase-like protein 0.0061 1 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0061 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.785 0.785
Schistosoma mansoni immunophilin 0.0061 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0061 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.8228 0.809
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0051 0.785 0.7683
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0051 0.785 0.7683
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.5101 0.5101
Schistosoma mansoni immunophilin 0.0053 0.8228 0.809
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0719 0.0719
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.2914 0.2914
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0061 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.2906 0.2906
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.785 0.785
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0051 0.785 0.7683
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0061 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.2914 0.2914
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0051 0.785 0.7683
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0051 0.785 0.7683
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0024 0.2195 0.159
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0051 0.785 0.7683
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0041 0.5664 0.5327
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0061 1 1
Loa Loa (eye worm) FKBP5 protein 0.0061 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0719 0.0719
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0061 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.5101 0.5101
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0061 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.5101 0.5101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.2914 0.2914
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.5655 0.5655
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0061 1 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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