TDR Targets

Basic information

Technical information

TDR Targets ID: 622157
Name: [1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3, 4-dihydro-1H-isoquinolin-2-yl]-(3-methylpheny l)methanone
MW: 435.487 | Formula: C26H26FNO4
H donors: 0 H acceptors: 1 LogP: 5.02 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(cc1OC)CCN(C2COc1ccc(cc1)F)C(=O)c1cccc(c1)C
InChi: 1S/C26H26FNO4/c1-17-5-4-6-19(13-17)26(29)28-12-11-18-14-24(30-2)25(31-3)15-22(18)23(28)16-32-21-9-7-20(27)8-10-21/h4-10,13-15,23H,11-12,16H2,1-3H3
InChiKey: YWTHFGIMDXJZQS-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

EU-0028635
Oprea1_288619

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
Leishmania major	hypothetical protein, conserved	0.0199	0.334	1
Echinococcus granulosus	geminin	0.0164	0.2688	0.2517
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Brugia malayi	Sugar transporter family protein	0.0103	0.1519	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0232	0.101
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0038	0.0271	0.0044
Brugia malayi	Inositol-1	0.0036	0.0228	0.0395
Trichomonas vaginalis	conserved hypothetical protein	0.0103	0.1519	1
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0032	0.0156	0.5
Schistosoma mansoni	hypothetical protein	0.0164	0.2688	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0228	0.15
Loa Loa (eye worm)	sugar transporter	0.0103	0.1519	1
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0228	0.0211
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0103	0.1519	0.1321
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0038	0.0271	0.1783
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0669	0.1968
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0103	0.1519	0.1321
Echinococcus multilocularis	neuropeptide receptor A26	0.0457	0.8282	0.8242
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0103	0.1519	0.1321
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0038	0.0271	0.0138
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0669	0.0452
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0669	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0038	0.0271	0.0145
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0038	0.0271	0.0044
Schistosoma mansoni	glucose transport protein	0.0103	0.1519	0.5348
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0468	0.2179
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0669	0.1419
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0669	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0669	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Echinococcus multilocularis	General substrate transporter	0.0089	0.1241	0.1037
Loa Loa (eye worm)	phosphatidylinositol 3	0.0038	0.0271	0.1783
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0038	0.0271	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0669	0.0452
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0038	0.0271	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0038	0.0271	0.1783
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0103	0.1519	0.1321
Schistosoma mansoni	hypothetical protein	0.0036	0.0232	0.0228
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0103	0.1519	0.1321
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0038	0.0271	0.0044
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0038	0.0271	0.0382
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0232	0.0004
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0038	0.0271	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0038	0.0271	0.0138
Entamoeba histolytica	hypothetical protein	0.0036	0.0232	0.101
Trypanosoma cruzi	hypothetical protein, conserved	0.0191	0.32	1
Echinococcus granulosus	neuropeptide receptor A26	0.0457	0.8282	0.8242
Schistosoma mansoni	glucose transport protein	0.0103	0.1519	0.5348
Echinococcus multilocularis	geminin	0.0164	0.2688	0.2517
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0228	0.15
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0232	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0175	0.1151
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0547	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0669	0.4407
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0038	0.0271	0.0138
Echinococcus granulosus	neuropeptide s receptor	0.0457	0.8282	0.8242
Schistosoma mansoni	glucose transport protein	0.0103	0.1519	0.5348
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Echinococcus multilocularis	neuropeptide s receptor	0.0457	0.8282	0.8242
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0038	0.0271	0.0138
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0103	0.1519	0.1321
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0038	0.0271	1
Plasmodium vivax	hexose transporter	0.0103	0.1519	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Trypanosoma cruzi	target of rapamycin kinase 3	0.0038	0.0271	0.0145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Loa Loa (eye worm)	inositol-1	0.0036	0.0228	0.15
Giardia lamblia	GTOR	0.0038	0.0271	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0038	0.0271	0.0145
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0038	0.0271	0.0138
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0228	0.15
Brugia malayi	hypothetical protein	0.0036	0.0232	0.0427
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0038	0.0271	0.0714
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0228	0.5
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0228	0.15
Toxoplasma gondii	facilitative glucose transporter GT1	0.0103	0.1519	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0038	0.0271	0.0145
Echinococcus granulosus	General substrate transporter	0.0089	0.1241	0.1037
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0038	0.0271	0.0145
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0468	0.2179
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0228	0.8413
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0232	0.0004
Schistosoma mansoni	hypothetical protein	0.0103	0.1519	0.5348
Plasmodium falciparum	hexose transporter	0.0103	0.1519	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.0232	0.101
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0669	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0038	0.0271	0.0382
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0468	0.3079
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0038	0.0271	0.0044
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0228	0.0211
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0038	0.0271	0.0714
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0038	0.0271	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0669	0.1968
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0271	0.1783
Schistosoma mansoni	hypothetical protein	0.0164	0.2688	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0038	0.0271	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0038	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0468	0.3079
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0103	0.1519	0.1321
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0103	0.1519	0.1321
Entamoeba histolytica	hypothetical protein	0.0036	0.0232	0.101

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 622157