TDR Targets

Basic information

Technical information

TDR Targets ID: 622034
Name: [6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methy l]-3,4-dihydro-1H-isoquinolin-2-yl]-furan-2-y lmethanone
MW: 435.512 | Formula: C26H29NO5
H donors: 0 H acceptors: 1 LogP: 5.08 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(cc1OC)CCN(C2COc1ccc(cc1)C(C)C)C(=O)c1ccco1
InChi: 1S/C26H29NO5/c1-17(2)18-7-9-20(10-8-18)32-16-22-21-15-25(30-4)24(29-3)14-19(21)11-12-27(22)26(28)23-6-5-13-31-23/h5-10,13-15,17,22H,11-12,16H2,1-4H3
InChiKey: HKFAKKJCJVPRFN-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

2-furyl-[1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
[6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-furan-2-yl-methanone
Oprea1_444573

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
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0516	0.264
Trichomonas vaginalis	esterase, putative	0.0037	0.0164	0.0492
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0164	0.0492
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0065	0.0516	0.2639
Schistosoma mansoni	rotamase	0.0035	0.0129	0.0129
Leishmania major	hypothetical protein, conserved	0.0037	0.0164	0.0839
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0164	0.0839
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0104	0.0104
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0044	0.0044
Leishmania major	phosphoglycerate kinase B, cytosolic	0.0176	0.1955	1
Loa Loa (eye worm)	TAR-binding protein	0.0128	0.1332	0.1332
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0164	0.0593
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0164	0.0839
Plasmodium vivax	phosphoglycerate kinase, putative	0.0176	0.1955	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0164	0.0593
Trypanosoma brucei	phosphoglycerate kinase	0.0176	0.1955	1
Brugia malayi	intermediate filament protein	0.0028	0.0044	0.0044
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0104	0.1017	0.1017
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0035	0.0129	0.0129
Echinococcus granulosus	intermediate filament protein	0.0028	0.0044	0.0049
Trypanosoma cruzi	3-phosphoglycerate kinase, glycosomal	0.0065	0.0516	0.2639
Trichomonas vaginalis	rotamase, putative	0.0034	0.0119	0.0356
Mycobacterium leprae	Probable phosphoglycerate kinase Pgk	0.0176	0.1955	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0058	0.0425	0.0476
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0164	0.0184
Onchocerca volvulus		0.0037	0.0164	1
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0065	0.0516	0.0516
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1017	0.1017
Loa Loa (eye worm)	RNA binding protein	0.0128	0.1332	0.1332
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0176	0.1955	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0164	0.0839
Brugia malayi	beta-lactamase family protein	0.0037	0.0164	0.0164
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.0299	0.3545	0.3968
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0128	0.1332	0.1332
Echinococcus multilocularis	lamin dm0	0.0028	0.0044	0.0049
Echinococcus multilocularis	expressed protein	0.0035	0.0129	0.0145
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0164	0.0164
Echinococcus granulosus	lysine specific demethylase 5A	0.0058	0.0425	0.0476
Echinococcus granulosus	GPCR family 2	0.0033	0.0104	0.0116
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0164	0.0164
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0034	0.0119	0.0607
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0065	0.0516	0.2165
Echinococcus multilocularis	phosphoglycerate kinase 1	0.0176	0.1955	0.2188
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0129	0.0388
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0034	0.0119	0.0607
Brugia malayi	beta-lactamase family protein	0.0037	0.0164	0.0164
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0035	0.0129	0.0129
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0164	0.0593
Schistosoma mansoni	phosphoglycerate kinase	0.0176	0.1955	0.1955
Schistosoma mansoni	jumonji domain containing protein	0.0058	0.0425	0.0425
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.1332	0.1332
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0034	0.0119	0.0607
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0065	0.0516	0.2639
Brugia malayi	Phosphoglycerate kinase	0.0176	0.1955	0.1955
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0104	0.0104
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0164	0.0184
Loa Loa (eye worm)	glutaminase	0.0283	0.3332	0.3332
Echinococcus granulosus	transcription factor Dp 1	0.0037	0.0164	0.0184
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0164	0.0492
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0164	0.0839
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0104	0.0104
Loa Loa (eye worm)	glutaminase 2	0.0283	0.3332	0.3332
Toxoplasma gondii	ABC1 family protein	0.0037	0.0164	0.0839
Echinococcus multilocularis	lamin	0.0028	0.0044	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0037	0.0037
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0164	0.0492
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.1332	0.1332
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0164	0.0593
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0058	0.0425	0.0476
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0044	0.0044
Loa Loa (eye worm)	jmjC domain-containing protein	0.0058	0.0425	0.0425
Brugia malayi	jmjC domain containing protein	0.0058	0.0425	0.0425
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0164	0.0492
Mycobacterium ulcerans	glutaminase	0.0283	0.3332	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0071	0.0595	0.0595
Mycobacterium tuberculosis	Probable phosphoglycerate kinase Pgk	0.0176	0.1955	0.7067
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0164	0.0593
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0239	0.2766	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0164	0.0164
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0176	0.1955	0.5865
Brugia malayi	beta-lactamase	0.0037	0.0164	0.0164
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0164	0.0492
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0065	0.0516	0.0516
Echinococcus granulosus	lamin dm0	0.0028	0.0044	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0044	0.0044
Toxoplasma gondii	peptidylprolyl isomerase	0.0034	0.0119	0.0607
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0104	0.1017	0.1017
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0164	0.0593
Echinococcus granulosus	expressed protein	0.0035	0.0129	0.0145
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0595	0.0595
Schistosoma mansoni	hypothetical protein	0.0033	0.0104	0.0104
Schistosoma mansoni	lamin	0.0028	0.0044	0.0044
Plasmodium falciparum	phosphoglycerate kinase	0.0176	0.1955	1
Brugia malayi	jmjC domain containing protein	0.0058	0.0425	0.0425
Echinococcus granulosus	microtubule associated protein 2	0.0717	0.8934	1
Giardia lamblia	Phosphoglycerate kinase	0.0176	0.1955	0.5
Schistosoma mansoni	phosphoglycerate kinase	0.0176	0.1955	0.1955
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0058	0.0425	0.0425
Echinococcus granulosus	tar DNA binding protein	0.0128	0.1332	0.1491
Echinococcus granulosus	phosphoglycerate kinase 1	0.0176	0.1955	0.2188
Echinococcus multilocularis	microtubule associated protein 2	0.0717	0.8934	1
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.1332	0.1332
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0058	0.0425	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0164	0.0164
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0065	0.0516	0.264
Echinococcus multilocularis	transcription factor Dp 1	0.0037	0.0164	0.0184
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0164	0.0164
Schistosoma mansoni	glutaminase	0.0283	0.3332	0.3332
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0104	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0176	0.1955	0.1955
Trichomonas vaginalis	glutaminase, putative	0.0283	0.3332	1
Loa Loa (eye worm)	subtilase	0.08	1	1
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0065	0.0516	0.0578
Schistosoma mansoni	microtubule-associated protein tau	0.0717	0.8934	0.8934
Onchocerca volvulus		0.0028	0.0044	0.267
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0164	0.0593
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0104	0.0116
Schistosoma mansoni	lamin	0.0028	0.0044	0.0044
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0164	0.0593
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0164	0.0492
Echinococcus multilocularis	musashi	0.0028	0.0044	0.0049
Brugia malayi	RNA recognition motif domain containing protein	0.0128	0.1332	0.1332
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0104	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0104	0.0104
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0176	0.1955	0.5865
Mycobacterium ulcerans	lipase LipD	0.0037	0.0164	0.0492
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0164	0.0164
Treponema pallidum	phosphoglycerate kinase	0.0176	0.1955	0.5
Brugia malayi	glutaminase DH11.1	0.0283	0.3332	0.3332
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0176	0.1955	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0104	0.0116
Schistosoma mansoni	hypothetical protein	0.0033	0.0104	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0164	0.0164
Toxoplasma gondii	phosphoglycerate kinase PGKII	0.0176	0.1955	1
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0065	0.0516	0.0516
Brugia malayi	RNA binding protein	0.0128	0.1332	0.1332
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0164	0.0839
Schistosoma mansoni	hypothetical protein	0.0071	0.0595	0.0595
Schistosoma mansoni	hypothetical protein	0.0033	0.0104	0.0104
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.08	1	1
Mycobacterium ulcerans	phosphoglycerate kinase	0.0176	0.1955	0.5865
Trypanosoma brucei	phosphoglycerate kinase	0.0065	0.0516	0.2639
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.1332	0.1332
Entamoeba histolytica	phosphoglycerate kinase, putative	0.0176	0.1955	1
Wolbachia endosymbiont of Brugia malayi	phosphoglycerate kinase	0.0176	0.1955	0.5
Trichomonas vaginalis	rotamase, putative	0.0035	0.0129	0.0388
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0065	0.0516	0.2639
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0065	0.0516	0.0578
Echinococcus multilocularis	tar DNA binding protein	0.0128	0.1332	0.1491
Toxoplasma gondii	phosphoglycerate kinase PGKI	0.0176	0.1955	1
Brugia malayi	TAR-binding protein	0.0128	0.1332	0.1332
Onchocerca volvulus		0.0028	0.0044	0.267
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0034	0.0119	0.0607
Chlamydia trachomatis	phosphoglycerate kinase	0.0176	0.1955	0.5
Onchocerca volvulus		0.0037	0.0164	1
Trypanosoma brucei	phosphoglycerate kinase, putative	0.0065	0.0516	0.2639
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0516	0.264
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0516	0.264
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0104	0.1017	0.1017
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0164	0.0492
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0164	0.0164
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.0299	0.3545	0.3968
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0104	0.0116
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0164	0.0492
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0164	0.0164
Onchocerca volvulus		0.0037	0.0164	1
Leishmania major	phosphoglycerate kinase C, glycosomal	0.0176	0.1955	1
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0065	0.0516	0.2639
Brugia malayi	Phosphoglycerate kinase	0.0065	0.0516	0.0516
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0164	0.0492
Schistosoma mansoni	hypothetical protein	0.0033	0.0104	0.0104
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0164	0.0839
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.1332	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0164	0.0164
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0065	0.0516	0.2639
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0164	0.0593
Trypanosoma brucei	phosphoglycerate kinase	0.0176	0.1955	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0164	0.0593
Echinococcus granulosus	lamin	0.0028	0.0044	0.0049
Echinococcus multilocularis	lysine specific demethylase 5A	0.0058	0.0425	0.0476

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

Search by Saint Jude

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.

Detailed information for compound 622034