Detailed information for compound 604918

Basic information

Technical information
  • TDR Targets ID: 604918
  • Name: 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenoxy )propan-2-ol
  • MW: 294.389 | Formula: C16H26N2O3
  • H donors: 1 H acceptors: 1 LogP: 1.46 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)CC(COc1ccc(cc1)OC)O
  • InChi: 1S/C16H26N2O3/c1-3-17-8-10-18(11-9-17)12-14(19)13-21-16-6-4-15(20-2)5-7-16/h4-7,14,19H,3,8-13H2,1-2H3
  • InChiKey: IEXYZOVSQTYJSL-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-ethyl-1-piperazinyl)-3-(4-methoxyphenoxy)propan-2-ol
  • Oprea1_447834
  • Oprea1_037920

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
Schistosoma mansoni tubulin subunit gamma 0.0136442 0.422311 0.422311
Trypanosoma cruzi alpha tubulin, putative 0.0190474 0.692802 0.681386
Brugia malayi Tubulin beta chain 0.00772007 0.125737 0.125737
Echinococcus multilocularis tubulin subunit TubB 0.0190474 0.692802 0.692802
Leishmania major alpha tubulin 0.0190474 0.692802 0.681386
Trypanosoma brucei alpha tubulin 0.0190474 0.692802 0.681386
Echinococcus multilocularis tubulin alpha chain 0.0190474 0.692802 0.692802
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.00772007 0.125737 0.0932473
Loa Loa (eye worm) hypothetical protein 0.0190474 0.692802 0.692802
Schistosoma mansoni tyrosine kinase 0.0162995 0.555237 0.555237
Trichomonas vaginalis tubulin beta chain, putative 0.0190474 0.692802 0.681386
Echinococcus multilocularis Tubulin beta 2C chain 0.0251838 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0190474 0.692802 0.692802
Trypanosoma cruzi tubulin gamma chain 0.0136442 0.422311 0.400842
Brugia malayi Tubulin alpha-2 chain 0.0190474 0.692802 0.692802
Brugia malayi tubulin alpha chain - mouse 0.0190474 0.692802 0.692802
Schistosoma mansoni tubulin subunit beta 0.0251838 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0190474 0.692802 0.692802
Echinococcus multilocularis hypothetical protein 0.0190474 0.692802 0.692802
Giardia lamblia Beta tubulin 0.0251838 1 1
Schistosoma mansoni tubulin subunit beta 0.00592416 0.0358307 0.0358307
Schistosoma mansoni alpha tubulin 0.0190474 0.692802 0.692802
Loa Loa (eye worm) tubulin alpha chain 0.0190474 0.692802 0.692802
Echinococcus multilocularis tubulin alpha chain 0.0190474 0.692802 0.692802
Loa Loa (eye worm) hypothetical protein 0.0113273 0.306322 0.306322
Leishmania major beta tubulin 0.0251838 1 1
Trypanosoma brucei beta tubulin 0.0251838 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0136442 0.422311 0.400842
Loa Loa (eye worm) tubulin alpha-2 chain 0.0190474 0.692802 0.692802
Echinococcus granulosus tubulin alpha 1C chain 0.0190474 0.692802 0.692802
Echinococcus granulosus tubulin alpha chain 0.0190474 0.692802 0.692802
Leishmania major beta tubulin 0.0251838 1 1
Mycobacterium tuberculosis Cell division protein FtsZ 0.00592416 0.0358307 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0251838 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0190474 0.692802 0.692802
Echinococcus granulosus tubulin delta chain 0.00592416 0.0358307 0.0358307
Entamoeba histolytica tubulin family protein 0.0251838 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0251838 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0251838 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.00772007 0.125737 0.0932473
Trichomonas vaginalis tubulin epsilon chain, putative 0.0251838 1 1
Leishmania major beta tubulin 0.0251838 1 1
Loa Loa (eye worm) hypothetical protein 0.00544827 0.0120066 0.0120066
Echinococcus granulosus peroxisome assembly protein 26 0.0190474 0.692802 0.692802
Trichomonas vaginalis tubulin beta chain, putative 0.0190474 0.692802 0.681386
Toxoplasma gondii beta tubulin 0.0251838 1 1
Echinococcus granulosus alpha tubulin 0.0190474 0.692802 0.692802
Trypanosoma brucei alpha tubulin 0.0190474 0.692802 0.681386
Echinococcus granulosus tubulin alpha 3 chain 0.0190474 0.692802 0.692802
Echinococcus granulosus tubulin subunit beta 0.0251838 1 1
Echinococcus multilocularis epidermal growth factor receptor 0.00875757 0.177676 0.177676
Leishmania major beta tubulin 0.0251838 1 1
Schistosoma mansoni tubulin subunit epsilon 0.0136442 0.422311 0.422311
Leishmania major alpha tubulin 0.0190474 0.692802 0.681386
Trypanosoma brucei tubulin gamma chain 0.0136442 0.422311 0.400842
Trypanosoma brucei beta tubulin 0.0136442 0.422311 0.400842
Echinococcus granulosus Tubulin beta 2C chain 0.0251838 1 1
Loa Loa (eye worm) tubulin beta chain 0.00592416 0.0358307 0.0358307
Schistosoma mansoni tubulin subunit beta 0.0251838 1 1
Schistosoma mansoni tubulin subunit alpha 0.0190474 0.692802 0.692802
Trichomonas vaginalis tubulin, putative 0.00772007 0.125737 0.0932473
Leishmania major beta tubulin 0.0251838 1 1
Brugia malayi Tubulin alpha chain 0.00592416 0.0358307 0.0358307
Trichomonas vaginalis tubulin alpha chain, putative 0.00772007 0.125737 0.0932473
Trichomonas vaginalis tubulin beta chain, putative 0.0190474 0.692802 0.681386
Echinococcus multilocularis beta tubulin 0.0251838 1 1
Schistosoma mansoni tyrosine kinase 0.00866518 0.17305 0.17305
Trichomonas vaginalis tubulin alpha chain, putative 0.0251838 1 1
Leishmania major alpha tubulin 0.0190474 0.692802 0.681386
Echinococcus granulosus tubulin alpha 1C chain 0.0190474 0.692802 0.692802
Trichomonas vaginalis tubulin epsilon chain, putative 0.0190474 0.692802 0.681386
Leishmania major beta tubulin 0.0251838 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0113273 0.306322 0.280544
Plasmodium falciparum alpha tubulin 1 0.0190474 0.692802 0.681386
Echinococcus granulosus tubulin subunit TubB 0.0190474 0.692802 0.692802
Schistosoma mansoni tubulin subunit beta 0.0251838 1 1
Trypanosoma brucei beta tubulin 0.0251838 1 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0251838 1 1
Trypanosoma brucei alpha tubulin, putative 0.00772007 0.125737 0.0932473
Brugia malayi Tubulin gamma chain 0.0136442 0.422311 0.422311
Leishmania major beta tubulin 0.0251838 1 1
Toxoplasma gondii beta-tubulin, putative 0.0251838 1 1
Trypanosoma brucei beta tubulin 0.0251838 1 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0251838 1 1
Toxoplasma gondii beta-1 tubulin, putative 0.0251838 1 1
Leishmania major beta tubulin 0.0251838 1 1
Brugia malayi beta-tubulin, identical 0.0251838 1 1
Mycobacterium ulcerans cell division protein FtsZ 0.00592416 0.0358307 0.5
Schistosoma mansoni tyrosine kinase 0.00866518 0.17305 0.17305
Leishmania major beta tubulin 0.0251838 1 1
Echinococcus multilocularis tubulin alpha chain 0.0190474 0.692802 0.692802
Schistosoma mansoni tyrosine kinase 0.00875757 0.177676 0.177676
Schistosoma mansoni tubulin subunit alpha 0.0190474 0.692802 0.692802
Echinococcus granulosus epidermal growth factor receptor 0.0162995 0.555237 0.555237
Echinococcus multilocularis Tubulin beta 2C chain 0.0251838 1 1
Echinococcus multilocularis tubulin beta 1 chain 0.0251838 1 1
Leishmania major alpha tubulin 0.0190474 0.692802 0.681386
Plasmodium vivax tubulin epsilon chain, putative 0.0136442 0.422311 0.400842
Schistosoma mansoni tyrosine kinase 0.00875757 0.177676 0.177676
Leishmania major alpha tubulin 0.0190474 0.692802 0.681386
Echinococcus multilocularis tubulin alpha 3 chain 0.0190474 0.692802 0.692802
Loa Loa (eye worm) beta-tubulin 0.0251838 1 1
Echinococcus multilocularis tubulin alpha 0.0136442 0.422311 0.422311
Trypanosoma brucei alpha tubulin 0.0190474 0.692802 0.681386
Loa Loa (eye worm) tubulin alpha 2 0.00540316 0.0097485 0.0097485
Onchocerca volvulus 0.00772007 0.125737 0.5
Trypanosoma cruzi beta tubulin, putative 0.0251838 1 1
Leishmania major gamma-tubulin 0.0136442 0.422311 0.400842
Entamoeba histolytica tubulin alpha-1 chain 0.0190474 0.692802 0.46823
Echinococcus granulosus Tubulin alpha 1 chain 0.0190474 0.692802 0.692802
Plasmodium falciparum alpha tubulin 2 0.0190474 0.692802 0.681386
Brugia malayi Cell division protein ftsZ 0.00592416 0.0358307 0.0358307
Giardia lamblia Alpha-tubulin 0.0190474 0.692802 0.681386
Plasmodium vivax tubulin alpha chain, putative 0.0190474 0.692802 0.681386
Echinococcus granulosus tubulin beta 1 chain 0.0251838 1 1
Schistosoma mansoni alpha tubulin 0.0190474 0.692802 0.692802
Trichomonas vaginalis tubulin gamma chain, putative 0.0136442 0.422311 0.400842
Echinococcus granulosus Tubulin beta 2C chain 0.0251838 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0131232 0.396228 0.373791
Loa Loa (eye worm) tubulin beta chain 0.0251838 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.00772007 0.125737 0.0932473
Echinococcus multilocularis Tubulin beta 2C chain 0.0251838 1 1
Giardia lamblia Alpha-tubulin 0.0190474 0.692802 0.681386
Plasmodium falciparum tubulin epsilon chain, putative 0.0136442 0.422311 0.400842
Brugia malayi Tubulin beta chain 0.00592416 0.0358307 0.0358307
Echinococcus multilocularis Tubulin alpha 1 chain 0.0190474 0.692802 0.692802
Plasmodium vivax tubulin alpha chain, putative 0.0190474 0.692802 0.681386
Leishmania major alpha tubulin 0.0190474 0.692802 0.681386
Trichomonas vaginalis tubulin epsilon chain, putative 0.0190474 0.692802 0.681386
Brugia malayi alpha-tubulin 0.0190474 0.692802 0.692802
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.00875757 0.177676 0.177676
Trichomonas vaginalis tubulin beta chain, putative 0.0190474 0.692802 0.681386
Echinococcus multilocularis tubulin subunit beta 0.0251838 1 1
Treponema pallidum cell division protein FtsZ 0.00592416 0.0358307 0.5
Loa Loa (eye worm) BEN-1 protein 0.0251838 1 1
Giardia lamblia Beta tubulin 0.0251838 1 1
Schistosoma mansoni tubulin subunit delta 0.00592416 0.0358307 0.0358307
Leishmania major beta tubulin 0.0251838 1 1
Echinococcus granulosus tubulin alpha chain 0.0190474 0.692802 0.692802
Loa Loa (eye worm) alpha-tubulin 0.0190474 0.692802 0.692802
Echinococcus multilocularis tubulin gamma 1 chain 0.0136442 0.422311 0.422311
Brugia malayi Calcitonin receptor-like protein seb-1 0.00544827 0.0120066 0.0120066
Echinococcus granulosus beta tubulin 0.0251838 1 1
Plasmodium vivax tubulin gamma chain, putative 0.0136442 0.422311 0.400842
Loa Loa (eye worm) alpha-tubulin 0.0190474 0.692802 0.692802
Entamoeba histolytica tubulin family protein 0.0251838 1 1
Echinococcus granulosus tubulin gamma 1 chain 0.0136442 0.422311 0.422311
Echinococcus multilocularis peroxisome assembly protein 26 0.0190474 0.692802 0.692802
Echinococcus multilocularis tubulin delta chain 0.00592416 0.0358307 0.0358307
Loa Loa (eye worm) hypothetical protein 0.0131232 0.396228 0.396228
Echinococcus multilocularis tubulin alpha chain 0.0190474 0.692802 0.692802
Echinococcus granulosus tubulin epsilon chain 0.0136442 0.422311 0.422311
Leishmania major alpha tubulin 0.0190474 0.692802 0.681386
Trypanosoma brucei alpha tubulin 0.0190474 0.692802 0.681386
Leishmania major alpha tubulin 0.0190474 0.692802 0.681386
Leishmania major alpha tubulin 0.0190474 0.692802 0.681386
Schistosoma mansoni tyrosine kinase 0.00866518 0.17305 0.17305
Plasmodium falciparum tubulin beta chain 0.0251838 1 1
Leishmania major beta tubulin 0.0251838 1 1
Leishmania major beta tubulin 0.0251838 1 1
Giardia lamblia Beta tubulin 0.0251838 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0251838 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0251838 1 1
Brugia malayi Tubulin alpha-2 chain 0.0190474 0.692802 0.692802
Loa Loa (eye worm) tubulin alpha 2 0.0131232 0.396228 0.396228
Schistosoma mansoni tubulin subunit beta 0.0251838 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0251838 1 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0162995 0.555237 0.555237
Trichomonas vaginalis tubulin, putative 0.0251838 1 1
Schistosoma mansoni tubulin subunit alpha 0.00592416 0.0358307 0.0358307
Trichomonas vaginalis tubulin beta chain, putative 0.0190474 0.692802 0.681386
Echinococcus granulosus epidermal growth factor receptor 0.00875757 0.177676 0.177676
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.00544827 0.0120066 0.0120066
Echinococcus granulosus Tubulin alpha 1 chain 0.0190474 0.692802 0.692802
Trichomonas vaginalis tubulin, putative 0.00772007 0.125737 0.0932473
Brugia malayi Tubulin alpha chain 0.0190474 0.692802 0.692802
Leishmania major beta tubulin 0.0251838 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0251838 1 1
Echinococcus granulosus tubulin alpha chain 0.0190474 0.692802 0.692802
Echinococcus multilocularis Tubulin alpha 1 chain 0.0190474 0.692802 0.692802
Echinococcus granulosus tubulin beta 4A class IVa 0.0251838 1 1
Toxoplasma gondii alpha-tubulin I, putative 0.0190474 0.692802 0.681386
Leishmania major alpha tubulin 0.0190474 0.692802 0.681386
Brugia malayi tubulin alpha-2 chain 0.0190474 0.692802 0.692802
Leishmania major alpha tubulin 0.0190474 0.692802 0.681386
Giardia lamblia Gamma tubulin 0.0136442 0.422311 0.400842
Schistosoma mansoni tubulin subunit beta 0.0251838 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0136442 0.422311 0.400842
Leishmania major epsilon tubulin, putative 0.0136442 0.422311 0.400842
Loa Loa (eye worm) tubulin beta-1 chain 0.0251838 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0136442 0.422311 0.400842
Loa Loa (eye worm) tubulin gamma chain 0.0136442 0.422311 0.422311
Echinococcus multilocularis tubulin alpha 1C chain 0.0190474 0.692802 0.692802
Trichomonas vaginalis tubulin beta chain, putative 0.0190474 0.692802 0.681386
Trypanosoma brucei beta tubulin 0.0251838 1 1
Echinococcus granulosus tubulin alpha chain 0.0190474 0.692802 0.692802
Echinococcus multilocularis tubulin epsilon chain 0.0136442 0.422311 0.422311
Leishmania major beta tubulin 0.0251838 1 1
Echinococcus granulosus tubulin alpha 0.0136442 0.422311 0.422311
Leishmania major beta tubulin 0.0251838 1 1
Plasmodium falciparum tubulin gamma chain 0.0136442 0.422311 0.400842
Toxoplasma gondii alpha tubulin TUBA1 0.0190474 0.692802 0.681386
Echinococcus multilocularis beta tubulin 0.0251838 1 1
Plasmodium vivax tubulin beta chain, putative 0.0251838 1 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.00592416 0.0358307 0.5
Schistosoma mansoni alpha tubulin 0.0190474 0.692802 0.692802
Schistosoma mansoni tubulin subunit beta 0.0251838 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0131232 0.396228 0.396228
Echinococcus multilocularis tubulin alpha 3 chain 0.0190474 0.692802 0.692802
Loa Loa (eye worm) pigment dispersing factor receptor c 0.00544827 0.0120066 0.0120066
Echinococcus multilocularis epidermal growth factor receptor 0.0162995 0.555237 0.555237
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0131232 0.396228 0.396228
Schistosoma mansoni tubulin subunit alpha 0.0190474 0.692802 0.692802
Echinococcus granulosus beta tubulin 0.0251838 1 1
Brugia malayi Tubulin beta-1 chain 0.0251838 1 1
Loa Loa (eye worm) BEN-1 protein 0.0251838 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0190474 0.692802 0.692802
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0136442 0.422311 0.400842
Trichomonas vaginalis tubulin epsilon chain, putative 0.0251838 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0190474 0.692802 0.692802
Mycobacterium leprae cell division protein FtsZ 0.00592416 0.0358307 0.5
Leishmania major beta tubulin 0.0251838 1 1
Leishmania major alpha tubulin 0.0190474 0.692802 0.681386
Trypanosoma brucei epsilon tubulin 0.0136442 0.422311 0.400842
Trichomonas vaginalis tubulin beta chain, putative 0.00772007 0.125737 0.0932473
Leishmania major beta tubulin 0.0251838 1 1
Leishmania major beta tubulin 0.0251838 1 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0113273 0.306322 0.306322
Echinococcus multilocularis tubulin alpha chain 0.0190474 0.692802 0.692802
Entamoeba histolytica tubulin alpha chain, putative 0.0190474 0.692802 0.46823
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0190474 0.692802 0.681386
Trypanosoma brucei epsilon tubulin 0.0136442 0.422311 0.400842
Echinococcus granulosus tubulin alpha chain 0.0190474 0.692802 0.692802
Brugia malayi Furin-like cysteine rich region family protein 0.0162995 0.555237 0.555237
Trichomonas vaginalis tubulin alpha chain, putative 0.0136442 0.422311 0.400842
Trypanosoma brucei epsilon tubulin 0.0136442 0.422311 0.400842
Echinococcus granulosus Tubulin beta 2C chain 0.0251838 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence. ChEMBL. 22096101
CC50 (functional) > 100 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 > 100 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 2.806 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) = 2.806 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) > 9.19 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) > 9.19 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IFI promiscuity index = 0 IFI promiscuity index Novartis-GNF Malaria Box. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

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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