Detailed information for compound 1536328

Basic information

Technical information
  • TDR Targets ID: 1536328
  • Name: N-tert-butyl-4-(2-methoxyphenoxy)butan-1-amin e
  • MW: 251.364 | Formula: C15H25NO2
  • H donors: 1 H acceptors: 0 LogP: 3.13 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1OCCCCNC(C)(C)C
  • InChi: 1S/C15H25NO2/c1-15(2,3)16-11-7-8-12-18-14-10-6-5-9-13(14)17-4/h5-6,9-10,16H,7-8,11-12H2,1-4H3
  • InChiKey: SYWKFOPJGKQNMA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • tert-butyl-[4-(2-methoxyphenoxy)butyl]amine
  • MLS000107228
  • BIM-0023262.P001
  • CBMicro_023347
  • SMR000111600

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
Echinococcus granulosus endoplasmin 0.0164 0.1941 0.1837
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0289 0.0289
Trypanosoma brucei heat shock protein 90, putative 0.0206 0.2529 0.6875
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0289 0.0164
Trichomonas vaginalis heat shock protein, putative 0.0164 0.1941 0.7443
Brugia malayi Hsp90 protein 0.0084 0.0825 0.0825
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0042 0.023 0.0104
Leishmania major DNA topoisomerase ii 0.0042 0.023 0.0909
Leishmania major hypothetical protein, conserved 0.0035 0.0127 0.0503
Echinococcus multilocularis endoplasmin 0.0164 0.1941 0.1837
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0164 0.1941 0.7675
Trypanosoma brucei heat shock protein, putative 0.0206 0.2529 0.6875
Chlamydia trachomatis DNA gyrase subunit B 0.0042 0.023 0.5
Plasmodium falciparum heat shock protein 90, putative 0.0084 0.0825 0.3262
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0042 0.023 0.023
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0042 0.023 0.0104
Trypanosoma cruzi Aph-1 protein, putative 0.0288 0.3678 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.023 0.023
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0042 0.023 0.0625
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Echinococcus multilocularis geminin 0.0171 0.2039 0.1936
Trichomonas vaginalis heat shock protein, putative 0.0206 0.2529 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0164 0.1941 1
Leishmania major developmentally regulated phosphoprotein-like protein 0.0042 0.023 0.0909
Loa Loa (eye worm) endoplasmin 0.0206 0.2529 0.2529
Trypanosoma cruzi DNA topoisomerase II, putative 0.0042 0.023 0.0625
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0164 0.1941 1
Schistosoma mansoni heat shock protein 0.0206 0.2529 0.2353
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Schistosoma mansoni hypothetical protein 0.0171 0.2039 0.1852
Brugia malayi heat shock protein 90 0.0206 0.2529 0.2529
Plasmodium vivax endoplasmin, putative 0.0206 0.2529 1
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0042 0.023 0.0909
Trypanosoma cruzi heat shock protein 90, putative 0.0206 0.2529 0.6875
Trichomonas vaginalis heat shock protein, putative 0.0164 0.1941 0.7443
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0042 0.023 0.0625
Echinococcus multilocularis gamma secretase subunit aph 1 0.0739 1 1
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Trypanosoma cruzi heat shock protein 90, putative 0.0164 0.1941 0.5277
Trypanosoma brucei heat shock protein 90, putative 0.0206 0.2529 0.6875
Loa Loa (eye worm) hypothetical protein 0.0042 0.023 0.023
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.1259 0.1259
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0042 0.023 0.0625
Brugia malayi Endoplasmin precursor 0.0206 0.2529 0.2529
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.0127 0.0346
Trypanosoma cruzi Heat shock protein 83, putative 0.0206 0.2529 0.6875
Trypanosoma brucei heat shock protein, putative 0.0206 0.2529 0.6875
Echinococcus granulosus heat shock protein 90 0.0206 0.2529 0.2432
Leishmania major hypothetical protein, conserved 0.0042 0.023 0.0909
Toxoplasma gondii Hsp90 domain-containing protein 0.0084 0.0825 0.3262
Schistosoma mansoni endoplasmin 0.0206 0.2529 0.2353
Plasmodium falciparum heat shock protein 90 0.0206 0.2529 1
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0035 0.0127 0.0503
Loa Loa (eye worm) hepatopoietin HPO2 0.0035 0.0127 0.0127
Trypanosoma brucei developmentally regulated phosphoprotein 0.0042 0.023 0.0625
Loa Loa (eye worm) hypothetical protein 0.0042 0.023 0.023
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0042 0.023 0.0909
Trypanosoma brucei DNA topoisomerase ii 0.0042 0.023 0.0625
Echinococcus granulosus geminin 0.0171 0.2039 0.1936
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.0127 0.0346
Echinococcus granulosus gamma secretase subunit aph 1 0.0739 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0206 0.2529 0.6875
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0739 1 1
Brugia malayi Augmenter of liver regeneration 0.0035 0.0127 0.0127
Giardia lamblia Heat shock protein HSP 90-alpha 0.0206 0.2529 1
Plasmodium vivax heat shock protein, putative 0.0084 0.0825 0.3262
Echinococcus granulosus heat shock protein 0.0206 0.2529 0.2432
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0042 0.023 0.0625
Leishmania major mitochondrial DNA topoisomerase II 0.0042 0.023 0.0909
Toxoplasma gondii heat shock protein 75, putative 0.0084 0.0825 0.3262
Schistosoma mansoni hypothetical protein 0.0171 0.2039 0.1852
Trypanosoma cruzi heat shock protein 90, putative 0.0121 0.1346 0.3659
Trypanosoma brucei Aph-1 protein, putative 0.0288 0.3678 1
Trypanosoma brucei heat shock protein, putative 0.0206 0.2529 0.6875
Loa Loa (eye worm) heat shock protein 90 0.0206 0.2529 0.2529
Trypanosoma brucei Heat shock protein 83, putative 0.0206 0.2529 0.6875
Schistosoma mansoni gamma-secretase subunit aph-1 0.0739 1 1
Brugia malayi MH2 domain containing protein 0.0115 0.1259 0.1259
Trypanosoma brucei heat shock protein, putative 0.0206 0.2529 0.6875
Schistosoma mansoni heat shock protein 0.0206 0.2529 0.2353
Trypanosoma brucei heat shock protein, putative 0.0206 0.2529 0.6875
Trichomonas vaginalis endoplasmin, putative 0.0126 0.1413 0.5145
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.0127 0.0346
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0289 0.0164
Toxoplasma gondii DNA topoisomerase 2, putative 0.0042 0.023 0.0909
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Plasmodium vivax hypothetical protein, conserved 0.0042 0.023 0.0909
Giardia lamblia Grp94/Hsp90 0.0164 0.1941 0.7443
Plasmodium falciparum DNA topoisomerase 2 0.0042 0.023 0.0909
Trypanosoma brucei heat shock protein 84, putative 0.0084 0.0825 0.2242
Entamoeba histolytica heat shock protein 90, putative 0.0206 0.2529 1
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0084 0.0825 0.0707
Schistosoma mansoni endoplasmin 0.0206 0.2529 0.2353
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0289 0.0289
Trypanosoma brucei heat shock protein, putative 0.0206 0.2529 0.6875
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.1259 0.1259
Trypanosoma cruzi heat shock protein, putative 0.0084 0.0825 0.2242
Entamoeba histolytica heat shock protein 90, putative 0.0206 0.2529 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0164 0.1941 0.1837
Plasmodium falciparum endoplasmin, putative 0.0126 0.1413 0.5587
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0289 0.0061
Trypanosoma brucei heat shock protein, putative 0.0206 0.2529 0.6875
Plasmodium falciparum heat shock protein 90, putative 0.0084 0.0825 0.3262
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0035 0.0127 0.0503
Trypanosoma cruzi heat shock protein 85, putative 0.0206 0.2529 0.6875
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0042 0.023 0.0625
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0042 0.023 0.0104
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0042 0.023 0.0625
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0042 0.023 0.0104
Plasmodium vivax heat shock protein 86, putative 0.0206 0.2529 1
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0084 0.0825 0.2588
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0289 0.0061
Mycobacterium ulcerans heat shock protein 90 0.0164 0.1941 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0042 0.023 0.0909
Toxoplasma gondii Erv1 / Alr family protein 0.0035 0.0127 0.0503
Toxoplasma gondii heat shock protein 90, putative 0.0206 0.2529 1
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Trichomonas vaginalis heat shock protein, putative 0.0126 0.1413 0.5145
Loa Loa (eye worm) TOPoisomerase family member 0.0042 0.023 0.023
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0289 0.0164
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0042 0.023 0.0909
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0042 0.023 0.5
Plasmodium vivax DNA topoisomerase II, putative 0.0042 0.023 0.0909
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Trichomonas vaginalis heat shock protein, putative 0.0164 0.1941 0.7443
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0084 0.0825 0.0707
Toxoplasma gondii Erv1 / Alr family protein 0.0035 0.0127 0.0503
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0042 0.023 0.0625
Leishmania major heat shock protein, putative 0.0084 0.0825 0.3262
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0164 0.1941 1
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0042 0.023 0.0909
Loa Loa (eye worm) heat shock protein 75 0.0084 0.0825 0.0825
Trypanosoma cruzi Aph-1 protein, putative 0.0288 0.3678 1
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0084 0.0825 1
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Treponema pallidum heat shock protein 90 0.0164 0.1941 1
Echinococcus multilocularis heat shock protein 90 0.0206 0.2529 0.2432
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0042 0.023 0.023
Schistosoma mansoni heat shock protein 0.0084 0.0825 0.0609
Trypanosoma cruzi DNA topoisomerase II, putative 0.0042 0.023 0.0625
Trypanosoma brucei heat shock protein, putative 0.0206 0.2529 0.6875
Echinococcus granulosus heat shock protein 90 0.0164 0.1941 0.1837
Giardia lamblia Heat shock protein HSP 90-alpha 0.0164 0.1941 0.7443
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Brugia malayi kinase, mitochondrial precursor 0.0042 0.023 0.023
Toxoplasma gondii heat shock protein HSP90 0.0206 0.2529 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0289 0.0061
Echinococcus multilocularis heat shock protein 0.0206 0.2529 0.2432
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0289 0.0164
Chlamydia trachomatis DNA gyrase subunit B 0.0042 0.023 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.0206 0.2529 0.6875
Leishmania major heat shock protein 83-1 0.0206 0.2529 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.0127 0.0346
Plasmodium vivax heat shock protein 90, putative 0.0084 0.0825 0.3262
Trypanosoma cruzi heat shock protein 85, putative 0.0164 0.1941 0.5277
Brugia malayi Probable DNA topoisomerase II 0.0042 0.023 0.023
Trichomonas vaginalis heat shock protein, putative 0.0084 0.0825 0.2588
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0042 0.023 0.0104
Plasmodium falciparum DNA gyrase subunit B 0.0042 0.023 0.0909
Echinococcus multilocularis heat shock protein 90 0.0164 0.1941 0.1837

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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