Detailed information for compound 622198

Basic information

Technical information
  • TDR Targets ID: 622198
  • Name: 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3 ,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethan one
  • MW: 462.494 | Formula: C26H26N2O6
  • H donors: 0 H acceptors: 3 LogP: 4.32 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(cc1OC)CCN(C2COc1ccc(cc1)[N+](=O)[O-])C(=O)Cc1ccccc1
  • InChi: 1S/C26H26N2O6/c1-32-24-15-19-12-13-27(26(29)14-18-6-4-3-5-7-18)23(22(19)16-25(24)33-2)17-34-21-10-8-20(9-11-21)28(30)31/h3-11,15-16,23H,12-14,17H2,1-2H3
  • InChiKey: BNLPHWGWMXCXKV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-ethanone
  • Oprea1_370893

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 PIKK family atypical protein kinase 0.0064 0.0127 0.2219
Trypanosoma brucei heat shock protein, putative 0.0053 0.008 0.141
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0036 0.0638
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0172 0.057 1
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.0308 0.5399
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0042 0.0036 0.0103
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0172 0.057 0.1609
Mycobacterium ulcerans heat shock protein 90 0.0042 0.0036 0.5
Brugia malayi Endoplasmin precursor 0.0053 0.008 0.141
Trypanosoma brucei heat shock protein 90, putative 0.0053 0.008 0.141
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0075 0.0172 0.0172
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0108 0.0308 0.5399
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0097 0.0262 0.4601
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0036 0.0638
Schistosoma mansoni heat shock protein 0.0053 0.008 0.141
Leishmania major hypothetical protein, conserved 0.0894 0.3545 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.0308 0.5399
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0097 0.0262 0.077
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0097 0.0262 0.4601
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0042 0.0036 0.5
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0172 0.057 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0172 0.057 0.057
Loa Loa (eye worm) hypothetical protein 0.0064 0.0127 0.2219
Trichomonas vaginalis PIKK family atypical protein kinase 0.0097 0.0262 0.4601
Trypanosoma brucei heat shock protein 90, putative 0.0053 0.008 0.141
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0172 0.057 0.057
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0097 0.0262 0.4601
Plasmodium vivax heat shock protein 86, putative 0.0053 0.008 1
Trypanosoma brucei heat shock protein, putative 0.0053 0.008 0.141
Echinococcus multilocularis heat shock protein 90 0.0053 0.008 0.008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Brugia malayi FAT domain containing protein 0.0075 0.0172 0.3017
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0172 0.057 0.1673
Trichomonas vaginalis PIKK family atypical protein kinase 0.0097 0.0262 0.4601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0172 0.3017
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0172 0.057 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0097 0.0262 0.4601
Entamoeba histolytica protein kinase rad3, putative 0.0097 0.0262 0.4601
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Giardia lamblia Grp94/Hsp90 0.0042 0.0036 0.0638
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0036 0.0638
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0097 0.0262 0.0262
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0127 0.2219
Trypanosoma cruzi heat shock protein 85, putative 0.0053 0.008 0.0236
Trichomonas vaginalis PIKK family atypical protein kinase 0.0097 0.0262 0.4601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Giardia lamblia GTOR 0.0172 0.057 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0172 0.057 0.1609
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Treponema pallidum heat shock protein 90 0.0042 0.0036 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Schistosoma mansoni endoplasmin 0.0053 0.008 0.141
Giardia lamblia Heat shock protein HSP 90-alpha 0.0053 0.008 0.141
Trypanosoma brucei heat shock protein, putative 0.0053 0.008 0.141
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0172 0.057 0.1609
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0042 0.0036 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Schistosoma mansoni fkbp-rapamycin associated protein 0.0097 0.0262 0.4601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Echinococcus granulosus endoplasmin 0.0042 0.0036 0.0036
Trypanosoma brucei heat shock protein, putative 0.0053 0.008 0.141
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0262 0.4601
Giardia lamblia Heat shock protein HSP 90-alpha 0.0042 0.0036 0.0638
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0108 0.0308 0.5399
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0172 0.057 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0097 0.0262 0.4601
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0172 0.057 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0172 0.057 0.1609
Trypanosoma brucei Heat shock protein 83, putative 0.0053 0.008 0.141
Entamoeba histolytica heat shock protein 90, putative 0.0053 0.008 0.141
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0172 0.057 0.057
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0075 0.0172 0.0172
Echinococcus multilocularis heat shock protein 90 0.0042 0.0036 0.0036
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Brugia malayi heat shock protein 90 0.0053 0.008 0.141
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.2463 1 1
Echinococcus multilocularis serine protein kinase ATM 0.0097 0.0262 0.0262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0172 0.057 0.1609
Loa Loa (eye worm) phosphatidylinositol 3 0.0172 0.057 1
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0172 0.057 0.1673
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0097 0.0262 0.4601
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Onchocerca volvulus 0.0033 0 0.5
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Loa Loa (eye worm) endoplasmin 0.0053 0.008 0.141
Trypanosoma cruzi heat shock protein 85, putative 0.0053 0.008 0.0236
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0172 0.057 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0172 0.3017
Trypanosoma cruzi heat shock protein 90, putative 0.0042 0.0036 0.0107
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Schistosoma mansoni hypothetical protein 0.0075 0.0172 0.3017
Entamoeba histolytica heat shock protein 90, putative 0.0053 0.008 0.141
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Trypanosoma cruzi heat shock protein 90, putative 0.0053 0.008 0.0236
Toxoplasma gondii FATC domain-containing protein 0.0097 0.0262 0.4601
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0172 0.057 1
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Trichomonas vaginalis PIKK family atypical protein kinase 0.0097 0.0262 0.4601
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0172 0.057 1
Loa Loa (eye worm) heat shock protein 90 0.0053 0.008 0.141
Trichomonas vaginalis PIKK family atypical protein kinase 0.0097 0.0262 0.4601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Plasmodium falciparum heat shock protein 90 0.0053 0.008 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Echinococcus granulosus heat shock protein 90 0.0053 0.008 0.008
Echinococcus granulosus serine protein kinase ATM 0.0097 0.0262 0.0262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0097 0.0262 0.4601
Echinococcus multilocularis endoplasmin 0.0042 0.0036 0.0036
Onchocerca volvulus 0.0033 0 0.5
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0042 0.0036 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0172 0.057 0.057
Trichomonas vaginalis heat shock protein, putative 0.0053 0.008 0.141
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0172 0.057 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0097 0.0262 0.4601
Trypanosoma cruzi target of rapamycin kinase 3 0.0172 0.057 0.1673
Schistosoma mansoni heat shock protein 0.0053 0.008 0.141
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0097 0.0262 0.077
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0172 0.057 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0172 0.057 1
Trypanosoma brucei heat shock protein, putative 0.0053 0.008 0.141
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0172 0.057 0.1673
Trypanosoma brucei heat shock protein, putative 0.0053 0.008 0.141
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Trypanosoma brucei heat shock protein, putative 0.0053 0.008 0.141
Trypanosoma brucei heat shock protein, putative 0.0053 0.008 0.141
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Trypanosoma cruzi heat shock protein 85, putative 0.0042 0.0036 0.0107
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0172 0.057 1
Echinococcus granulosus heat shock protein 0.0053 0.008 0.008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Toxoplasma gondii heat shock protein HSP90 0.0053 0.008 0.141
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0042 0.0036 0.0036
Trypanosoma cruzi heat shock protein 85, putative 0.0053 0.008 0.0236
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0172 0.057 0.1673
Leishmania major heat shock protein 83-1 0.0053 0.008 0.0227
Entamoeba histolytica hypothetical protein 0.0097 0.0262 0.4601
Toxoplasma gondii target of rapamycin (TOR), putative 0.0172 0.057 1
Toxoplasma gondii heat shock protein 90, putative 0.0053 0.008 0.141
Trypanosoma cruzi hypothetical protein, conserved 0.0861 0.3409 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Plasmodium vivax endoplasmin, putative 0.0053 0.008 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0308 0.5399
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0064 0.0127 0.0371
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1
Echinococcus multilocularis heat shock protein 0.0053 0.008 0.008
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0097 0.0262 0.0262
Echinococcus granulosus heat shock protein 90 0.0042 0.0036 0.0036
Schistosoma mansoni endoplasmin 0.0053 0.008 0.141
Trypanosoma cruzi Heat shock protein 83, putative 0.0053 0.008 0.0236
Trichomonas vaginalis PIKK family atypical protein kinase 0.0172 0.057 1

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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