Detailed information for compound 1265525

Basic information

Technical information
  • TDR Targets ID: 1265525
  • Name: N-[2-(2-ethoxyphenoxy)ethyl]cyclopentanamine
  • MW: 249.349 | Formula: C15H23NO2
  • H donors: 1 H acceptors: 0 LogP: 3.07 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1OCCNC1CCCC1
  • InChi: 1S/C15H23NO2/c1-2-17-14-9-5-6-10-15(14)18-12-11-16-13-7-3-4-8-13/h5-6,9-10,13,16H,2-4,7-8,11-12H2,1H3
  • InChiKey: PKUOQFGNPNGAKJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • cyclopentyl-[2-(2-ethoxyphenoxy)ethyl]amine
  • MLS000702079
  • N-cyclopentyl-N-[2-(2-ethoxyphenoxy)ethyl]amine
  • SMR000226840
  • AJ-292/42546510

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 PHD finger protein rhinoceros 0.0035 0.1995 0.1994
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.3293 0.3289
Echinococcus granulosus peregrin 0.0035 0.1995 0.1994
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0761 0.0756
Plasmodium falciparum phd finger protein, putative 0.0035 0.1995 0.4429
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0761 0.5
Brugia malayi hypothetical protein 0.0033 0.1753 0.1748
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0346 0.0447
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.3547 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.5795 0.5804
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.7462 0.9794
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0756 0.0751
Echinococcus multilocularis dna polymerase eta 0.0043 0.2803 0.2804
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.5795 1
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.2733 0.2734
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0761 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.2803 0.2803
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.5795 1
Brugia malayi PHD-finger family protein 0.0035 0.1995 0.199
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.9981 1
Brugia malayi hypothetical protein 0.0051 0.3547 0.3543
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.3547 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1995 0.1995
Loa Loa (eye worm) transcription factor SMAD2 0.0115 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0761 0.1294
Echinococcus granulosus lamin dm0 0.0033 0.1748 0.1746
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Leishmania major DNA polymerase eta, putative 0.0043 0.2803 0.4509
Schistosoma mansoni ap endonuclease 0.0023 0.0761 0.0991
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.7462 0.746
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.2803 0.7676
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0761 0.076
Echinococcus multilocularis peregrin 0.0035 0.1995 0.1994
Leishmania major hypothetical protein, conserved 0.0051 0.3547 0.5875
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0756 0.0751
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.2803 0.2799
Schistosoma mansoni jumonji domain containing protein 0.0092 0.7618 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0346 0.0346
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.5795 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.337 0.3372
Brugia malayi jmjC domain containing protein 0.0043 0.2733 0.2729
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1772 0.1767
Schistosoma mansoni hypothetical protein 0.0035 0.1995 0.2613
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.5795 1
Schistosoma mansoni hypothetical protein 0.0033 0.1772 0.2319
Leishmania major DNA polymerase eta, putative 0.003 0.152 0.2153
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.5732 0.5732
Echinococcus multilocularis musashi 0.0033 0.1748 0.1746
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0761 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1748 0.1743
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.1995 0.2613
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.1995 0.2452
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.7462 0.7474
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.7462 0.7474
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0346 0.0341
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.5795 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.7462 0.7474
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.5795 0.7605
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.5795 0.7605
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.9981 1
Brugia malayi cytoplasmic intermediate filament protein 0.0018 0.0233 0.0227
Loa Loa (eye worm) hypothetical protein 0.0016 0.006 0.006
Giardia lamblia PHD finger protein 15 0.0035 0.1995 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.2733 0.2734
Echinococcus granulosus intermediate filament protein 0.0033 0.1748 0.1746
Loa Loa (eye worm) hypothetical protein 0.0048 0.3293 0.3293
Trypanosoma brucei DNA polymerase eta, putative 0.0043 0.2803 0.7676
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.5795 1
Echinococcus granulosus dna polymerase eta 0.0043 0.2803 0.2804
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0346 0.0341
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0761 0.076
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0761 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.1748 0.1748
Loa Loa (eye worm) hypothetical protein 0.006 0.4503 0.4503
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.7462 0.7462
Schistosoma mansoni lamin 0.0033 0.1748 0.2288
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1748 0.1748
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0346 0.034
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.3547 1
Echinococcus multilocularis lamin 0.0033 0.1748 0.1746
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0018 0.0233 0.0233
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.2733 0.3583
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0761 0.0755
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0761 0.1294
Brugia malayi jmjC domain containing protein 0.0115 0.9981 0.9981
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.7462 0.9794
Loa Loa (eye worm) hypothetical protein 0.0051 0.3547 0.3547
Loa Loa (eye worm) hypothetical protein 0.0033 0.1772 0.1772
Echinococcus granulosus jumonji domain containing protein 0.0049 0.337 0.3372
Echinococcus granulosus lamin 0.0033 0.1748 0.1746
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.3547 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0346 0.0447
Echinococcus multilocularis lamin dm0 0.0033 0.1748 0.1746
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0761 0.0761
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0761 0.0756
Trypanosoma cruzi DNA polymerase eta, putative 0.003 0.152 0.3665
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.3547 0.5535
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.3293 0.3293
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.1995 0.2452
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.006 0.0054
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.3547 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0761 1
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0346 0.0341
Onchocerca volvulus Alhambra homolog 0.0035 0.1995 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0006 0.0006
Schistosoma mansoni lamin 0.0033 0.1748 0.2288
Brugia malayi intermediate filament protein 0.0033 0.1748 0.1743
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0761 0.2513
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.2733 0.3583
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.7462 0.7474
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1995 0.4429
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1748 0.1748
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.2733 0.2733
Schistosoma mansoni ap endonuclease 0.0023 0.0761 0.0991
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0761 0.076
Schistosoma mansoni intermediate filament proteins 0.0033 0.1748 0.2288
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.1995 0.1994
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.3547 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0761 0.1294
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.5795 0.5804
Schistosoma mansoni hypothetical protein 0.0023 0.0756 0.0984
Loa Loa (eye worm) hypothetical protein 0.0032 0.1688 0.1688
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.3293 0.3289
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.1995 0.1995
Echinococcus granulosus dna polymerase kappa 0.0019 0.0346 0.0341
Toxoplasma gondii ImpB/MucB/SamB family protein 0.003 0.152 0.1508
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.7462 0.9794
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.006 0.0054
Schistosoma mansoni DNA polymerase eta 0.0043 0.2803 0.3675
Brugia malayi Bromodomain containing protein 0.0035 0.1995 0.199

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

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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