TDR Targets

Basic information

Technical information

TDR Targets ID: 622070
Name: 1-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3 ,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethan one
MW: 445.55 | Formula: C28H31NO4
H donors: 0 H acceptors: 1 LogP: 5.29 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(cc1OC)CCN(C2COc1ccc(cc1)CC)C(=O)Cc1ccccc1
InChi: 1S/C28H31NO4/c1-4-20-10-12-23(13-11-20)33-19-25-24-18-27(32-3)26(31-2)17-22(24)14-15-29(25)28(30)16-21-8-6-5-7-9-21/h5-13,17-18,25H,4,14-16,19H2,1-3H3
InChiKey: BPWNSEMHCYALDV-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

1-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-ethanone
Oprea1_599076

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0047	0.0207
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0198	0.076
Loa Loa (eye worm)	hypothetical protein	0.0155	0.2253	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.072	0.3195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Brugia malayi	TAR-binding protein	0.0066	0.072	0.3195
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0026	0.0047	0.1478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0042	0.0316	0.0978
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0042	0.0316	0.1211
Entamoeba histolytica	hypothetical protein	0.0037	0.0232	0.7343
Loa Loa (eye worm)	phosphatidylinositol 3	0.0042	0.0316	0.1403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0232	0.0232
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0479	0.2128
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0232	0.0232
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.072	0.2757
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0479	0.2128
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0042	0.0316	1
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.072	0.3195
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0232	0.0889
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0198	0.088
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0047	0.1478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.072	0.3195
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0042	0.0316	0.0978
Schistosoma mansoni	hypothetical protein	0.0176	0.2611	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.0155	0.2253	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0042	0.0316	0.0316
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0042	0.0316	0.1403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0042	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0042	0.0316	0.1403
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.072	0.2757
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Leishmania major	hypothetical protein, conserved	0.022	0.3371	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0605	1	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0042	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0198	0.088
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0042	0.0316	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0042	0.0316	0.1403
Trypanosoma cruzi	hypothetical protein, conserved	0.0212	0.3232	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.0042	0.0316	0.0978
Echinococcus granulosus	tar DNA binding protein	0.0066	0.072	0.072
Echinococcus multilocularis	muscleblind protein 1	0.0155	0.2253	0.2253
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Giardia lamblia	GTOR	0.0042	0.0316	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0047	0.1478
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0042	0.0316	1
Schistosoma mansoni	hypothetical protein	0.0176	0.2611	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0026	0.0047	0.1478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0042	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0232	0.7343
Brugia malayi	RNA binding protein	0.0066	0.072	0.3195
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0042	0.0316	0.1211
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.072	0.2757
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0042	0.0316	0.0316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0042	0.0316	0.0978
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0232	0.7343
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.072	0.2757
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0042	0.0316	1
Brugia malayi	hypothetical protein	0.0037	0.0232	0.103
Schistosoma mansoni	hypothetical protein	0.0037	0.0232	0.0889
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.072	0.2757
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0479	0.2128
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0042	0.0316	0.0316
Echinococcus granulosus	geminin	0.0176	0.2611	0.2611
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0479	0.2128
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.072	0.072
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0316	1
Brugia malayi	Muscleblind-like protein	0.0155	0.2253	1
Echinococcus granulosus	muscleblind protein	0.0155	0.2253	0.2253
Entamoeba histolytica	hypothetical protein	0.0037	0.0232	0.7343
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0042	0.0316	1
Echinococcus multilocularis	muscleblind protein	0.0155	0.2253	0.2253
Echinococcus multilocularis	geminin	0.0176	0.2611	0.2611
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0042	0.0316	0.0978
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0042	0.0316	0.0316
Loa Loa (eye worm)	RNA binding protein	0.0066	0.072	0.3195

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 622070