Detailed information for compound 622122

Basic information

Technical information
  • TDR Targets ID: 622122
  • Name: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4 -dihydro-1H-isoquinolin-2-yl]-(4-ethoxyphenyl )methanone
  • MW: 492.52 | Formula: C27H28N2O7
  • H donors: 0 H acceptors: 3 LogP: 4.72 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)C(=O)N1CCc2c(C1COc1ccc(cc1)[N+](=O)[O-])cc(c(c2)OC)OC
  • InChi: 1S/C27H28N2O7/c1-4-35-21-9-5-18(6-10-21)27(30)28-14-13-19-15-25(33-2)26(34-3)16-23(19)24(28)17-36-22-11-7-20(8-12-22)29(31)32/h5-12,15-16,24H,4,13-14,17H2,1-3H3
  • InChiKey: MHEYSPRIMTYPDT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Oprea1_377672
  • EU-0095232

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 phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.2277 0.5804 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0445 0.0355 0.0917
Trypanosoma cruzi hypothetical protein, conserved 0.1277 0.283 1
Loa Loa (eye worm) hypothetical protein 0.0417 0.0272 0.0336
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.1233 0.27 1
Loa Loa (eye worm) phosphatidylinositol 3 0.2035 0.5084 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.2277 0.5804 0.5088
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1233 0.27 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0991 0.198 0.6931
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1233 0.27 0.9521
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0862 0.1596 0.5294
Loa Loa (eye worm) hypothetical protein 0.0816 0.1458 0.2718
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0574 0.0739 0.1637
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0862 0.1596 0.5294
Leishmania major hypothetical protein, conserved 0.1361 0.308 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1233 0.27 0.9521
Entamoeba histolytica hypothetical protein 0.0991 0.198 0.6931
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0816 0.1458 0.4706
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.3687 1 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0621 0.0877 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.1233 0.27 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1233 0.27 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.2277 0.5804 0.5088
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0445 0.0355 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1233 0.27 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.1043 0.2134 0.7588
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.1149 0.245 0.8934

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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