Detailed information for compound 689528

Basic information

Technical information
  • TDR Targets ID: 689528
  • Name: 2-(1-oxo-2-propylisoquinolin-5-yl)oxy-N-[2-(t rifluoromethyl)phenyl]acetamide
  • MW: 404.382 | Formula: C21H19F3N2O3
  • H donors: 1 H acceptors: 2 LogP: 4.17 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1ccc2c(c1=O)cccc2OCC(=O)Nc1ccccc1C(F)(F)F
  • InChi: 1S/C21H19F3N2O3/c1-2-11-26-12-10-14-15(20(26)28)6-5-9-18(14)29-13-19(27)25-17-8-4-3-7-16(17)21(22,23)24/h3-10,12H,2,11,13H2,1H3,(H,25,27)
  • InChiKey: AWMCPIGZBXYVCM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(1-oxo-2-propyl-5-isoquinolyl)oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
  • 2-[(1-keto-2-propyl-5-isoquinolyl)oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
  • 2-(1-oxo-2-propyl-isoquinolin-5-yl)oxy-N-[2-(trifluoromethyl)phenyl]ethanamide
  • ZINC04584193

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 lamin 0.0026 0.0262 0.0689
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0001 0.0001
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0318 0.1175
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.2175 1
Brugia malayi phosphofructokinase 0.0106 0.2175 0.2175
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0625 0.0932
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.1176 0.1176
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0294 0.6701 1
Echinococcus multilocularis lamin dm0 0.0026 0.0262 0.0592
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0145 0.3128 0.3128
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.1176 0.1754
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0318 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0318 0.1175
Loa Loa (eye worm) hypothetical protein 0.0026 0.0251 0.0251
Echinococcus multilocularis 6 phosphofructokinase 0.0106 0.2175 0.4912
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0525 0.1186
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0001 0.0001
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0071 0.0105
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0001 0.0001
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0625 0.0932
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0001 0.0001
Brugia malayi Kinesin motor domain containing protein 0.0026 0.0254 0.0254
Schistosoma mansoni hypothetical protein 0.0033 0.0429 0.1126
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0318 1
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.2175 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0147 0.3168 0.3168
Echinococcus granulosus lamin 0.0026 0.0262 0.0592
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.1176 0.3091
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0106 0.2175 0.5
Echinococcus granulosus intermediate filament protein 0.0026 0.0262 0.0592
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.1176 0.2656
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0525 0.1186
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0318 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.3355 1
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0318 0.4122
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0318 0.1175
Echinococcus multilocularis Protein lozenge 0.0054 0.0931 0.2103
Echinococcus granulosus lamin dm0 0.0026 0.0262 0.0592
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.2175 1
Plasmodium falciparum kinesin-5 0.0026 0.0254 0.7979
Toxoplasma gondii exonuclease III APE 0.0018 0.0071 0.0914
Brugia malayi 6-phosphofructokinase 0.0106 0.2175 0.2175
Brugia malayi hypothetical protein 0.0147 0.3168 0.3168
Echinococcus multilocularis lamin 0.0026 0.0262 0.0592
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0429 0.0429
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.1176 0.1754
Plasmodium vivax kinesin-5 0.0026 0.0254 0.7979
Schistosoma mansoni intermediate filament proteins 0.0026 0.0262 0.0689
Loa Loa (eye worm) 6-phosphofructokinase 0.0106 0.2175 0.2175
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0001 0.0001
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0071 0.0105
Schistosoma mansoni 6-phosphofructokinase 0.0106 0.2175 0.5717
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0318 0.1175
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0318 0.1175
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.1176 0.5251
Schistosoma mansoni kinesin eg-5 0.0026 0.0254 0.0668
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0071 0.016
Loa Loa (eye worm) kinesin-like protein KLP2 0.0026 0.0254 0.0254
Mycobacterium ulcerans hypothetical protein 0.0155 0.3355 1
Schistosoma mansoni ap endonuclease 0.0018 0.0071 0.0187
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0071 0.5
Onchocerca volvulus 0.0147 0.3168 0.2984
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0106 0.2175 0.3246
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0318 0.1175
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0318 0.4122
Schistosoma mansoni lamin 0.0026 0.0262 0.0689
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0071 0.2217
Toxoplasma gondii kinesin motor domain-containing protein 0.0026 0.0254 0.3289
Echinococcus granulosus 6 phosphofructokinase 0.0106 0.2175 0.4912
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.1176 0.1754
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0029 0.0318 0.1175
Schistosoma mansoni hypothetical protein 0.0174 0.3805 1
Schistosoma mansoni 6-phosphofructokinase 0.0106 0.2175 0.5717
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0001 0.0001
Echinococcus granulosus muscleblind protein 0.0145 0.3128 0.7063
Echinococcus multilocularis muscleblind protein 0.0145 0.3128 0.7063
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0318 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0071 0.0105
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.1176 0.1176
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0318 0.1175
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0318 0.5
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.2175 1
Schistosoma mansoni lozenge 0.0054 0.0931 0.2448
Mycobacterium ulcerans 6-phosphofructokinase 0.0106 0.2175 0.6408
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.2977 0.4442
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.2175 1
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0318 1
Loa Loa (eye worm) hypothetical protein 0.0431 1 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0318 0.5
Loa Loa (eye worm) 6-phosphofructokinase 0.0106 0.2175 0.2175
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.2175 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0294 0.6701 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0798 0.0798
Loa Loa (eye worm) hypothetical protein 0.0026 0.0262 0.0262
Echinococcus multilocularis kinesin family 1 0.02 0.4429 1
Brugia malayi intermediate filament protein 0.0026 0.0262 0.0262
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0071 0.0071
Schistosoma mansoni ap endonuclease 0.0018 0.0071 0.0187
Loa Loa (eye worm) hypothetical protein 0.0145 0.3128 0.3128
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0294 0.6701 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0842 0.1256
Onchocerca volvulus 0.0431 1 1
Echinococcus granulosus kinesin family 1 0.02 0.4429 1
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0262 0.0262
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0071 0.016
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0262 0.0262
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.2175 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0071 0.0105
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0625 0.0932
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0318 0.4122
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0071 0.2217
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0106 0.2175 0.3246
Loa Loa (eye worm) hypothetical protein 0.0033 0.0429 0.0429
Echinococcus multilocularis musashi 0.0026 0.0262 0.0592
Giardia lamblia Kinesin-5 0.0026 0.0254 0.7404
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0318 0.1175
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0106 0.2175 1
Entamoeba histolytica kinesin, putative 0.0026 0.0254 0.087
Loa Loa (eye worm) hypothetical protein 0.0431 1 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.1176 0.2656
Leishmania major ATP-dependent phosphofructokinase 0.0106 0.2175 0.3246
Echinococcus multilocularis muscleblind protein 1 0.0145 0.3128 0.7063
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0001 0.0001
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.2977 0.4442
Toxoplasma gondii hypothetical protein 0.0047 0.0771 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0106 0.2175 0.6484
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0798 0.0798
Brugia malayi Muscleblind-like protein 0.0145 0.3128 0.3128
Loa Loa (eye worm) phosphofructokinase 0.0106 0.2175 0.2175
Brugia malayi 6-phosphofructokinase 0.0106 0.2175 0.2175
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0625 0.0932
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.2977 0.4442
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0798 0.0798
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0071 0.021
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.1176 0.1754
Loa Loa (eye worm) hypothetical protein 0.0049 0.0798 0.0798
Loa Loa (eye worm) runx1 0.0054 0.0931 0.0931
Leishmania major mitochondrial DNA polymerase beta 0.0294 0.6701 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0071 0.0071
Brugia malayi isocitrate dehydrogenase 0.0015 0.0001 0.0001
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0001 0.0002

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.