TDR Targets

Basic information

Technical information

TDR Targets ID: 330214
Name: 1-[(3,4-dimethoxyphenyl)methyl]-2,8-dimethyl- 3,4-dihydro-1H-isoquinoline hydrochloride
MW: 347.879 | Formula: C20H26ClNO2
H donors: 0 H acceptors: 0 LogP: 4.89 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1OC)CC1N(C)CCc2c1c(C)ccc2.Cl
InChi: 1S/C20H25NO2.ClH/c1-14-6-5-7-16-10-11-21(2)17(20(14)16)12-15-8-9-18(22-3)19(13-15)23-4;/h5-9,13,17H,10-12H2,1-4H3;1H
InChiKey: WBDIDIARAVJHGK-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

2,8-dimethyl-1-veratryl-3,4-dihydro-1H-isoquinoline hydrochloride

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)	papain family cysteine protease containing protein	0.0217	1	1
Leishmania major	cathepsin L-like protease	0.0217	1	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0114	0.2131	0.2131
Onchocerca volvulus		0.0217	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0217	1	1
Brugia malayi	Cathepsin L-like precursor	0.0147	0.4635	0.3182
Echinococcus multilocularis	cathepsin b	0.0181	0.7221	0.6469
Trypanosoma cruzi	cysteine peptidase, putative	0.0217	1	1
Echinococcus granulosus	cathepsin l1	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0217	1	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0217	1	1
Leishmania major	cathepsin L-like protease	0.0217	1	1
Leishmania major	cathepsin L-like protease	0.0217	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0147	0.4635	0.4635
Brugia malayi	Cathepsin L-like precursor	0.0217	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0217	1	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0147	0.4635	0.3182
Leishmania major	cysteine peptidase A (CPA)	0.0217	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0217	1	1
Leishmania major	cathepsin L-like protease	0.0217	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0181	0.7221	0.7221
Onchocerca volvulus		0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.4635	0.4635
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0217	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0147	0.4635	0.4635
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0217	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0114	0.2131	0.2131
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0217	1	1
Loa Loa (eye worm)	ctsf protein	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0217	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0217	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0217	1	1
Giardia lamblia	Cathepsin B precursor	0.0086	0	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0217	1	1
Onchocerca volvulus		0.0217	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0217	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0217	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0147	0.4635	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0217	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0114	0.2131	0.2131
Schistosoma mansoni	cathepsin F (C01 family)	0.0217	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0114	0.2131	0.2131
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0181	0.7221	0.7221
Loa Loa (eye worm)	hypothetical protein	0.0181	0.7221	0.7221
Plasmodium vivax	vivapain-2	0.0217	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0114	0.2131	0.2131
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0217	1	1
Trypanosoma cruzi	cysteine protease, putative	0.0114	0.2131	0.2131
Entamoeba histolytica	cysteine proteinase, putative	0.0217	1	1
Plasmodium vivax	vivapain-2	0.0217	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0217	1	1
Loa Loa (eye worm)	hypothetical protein	0.0147	0.4635	0.4635
Brugia malayi	Cathepsin L-like precursor	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0217	1	1
Echinococcus granulosus	cathepsin b	0.0181	0.7221	0.6469
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0181	0.7221	0.7221
Entamoeba histolytica	cysteine protease, putative	0.0217	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0217	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0217	1	1
Echinococcus granulosus	cathepsin l1	0.0147	0.4635	0.3182
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0217	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0217	1	1
Brugia malayi	Cathepsin L-like precursor	0.0217	1	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0181	0.7221	0.6469
Giardia lamblia	Cathepsin B precursor	0.0086	0	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0217	1	1
Onchocerca volvulus		0.0217	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0217	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0217	1	1
Leishmania major	cathepsin L-like protease	0.0217	1	1
Brugia malayi	Cathepsin L-like precursor	0.0217	1	1
Onchocerca volvulus		0.0217	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0217	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0114	0.2131	0.2131
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0217	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0217	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0217	1	1
Loa Loa (eye worm)	hypothetical protein	0.0217	1	1
Brugia malayi	Cathepsin L-like precursor	0.0147	0.4635	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0217	1	1
Toxoplasma gondii	cathepsin CPL	0.0217	1	1
Leishmania major	cathepsin L-like protease	0.0217	1	1
Leishmania major	cathepsin L-like protease	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0114	0.2131	0.2131
Loa Loa (eye worm)	hypothetical protein	0.0147	0.4635	0.4635
Trypanosoma cruzi	cysteine proteinase, putative	0.0114	0.2131	0.2131
Echinococcus multilocularis	cysteine protease	0.0217	1	1
Loa Loa (eye worm)	cysteine protease	0.0217	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0217	1	1
Echinococcus granulosus	cathepsin b	0.0181	0.7221	0.6469
Echinococcus multilocularis	cathepsin L cysteine protease	0.0217	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0217	1	1
Echinococcus multilocularis	cathepsin b	0.0181	0.7221	0.6469
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.4635	0.4635
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0217	1	1
Brugia malayi	cathepsin L-like precursor	0.0147	0.4635	0.3182
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0181	0.7221	0.7221
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0114	0.2131	0.2131
Onchocerca volvulus	Cathepsin F homolog	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0217	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0217	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0217	1	1
Echinococcus multilocularis	cysteine protease	0.0217	1	1
Giardia lamblia	Cathepsin B precursor	0.0086	0	0.5
Loa Loa (eye worm)	fibroinase	0.0217	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0217	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0114	0.2131	0.2131
Trypanosoma cruzi	cruzipain precursor, putative	0.0217	1	1
Loa Loa (eye worm)	hypothetical protein	0.0147	0.4635	0.4635
Brugia malayi	Cathepsin L-like precursor	0.0217	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0217	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0217	1	1
Leishmania major	cathepsin L-like protease	0.0217	1	1
Onchocerca volvulus		0.0217	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0181	0.7221	0.7221
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0217	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0114	0.2131	0.2131
Schistosoma mansoni	cathepsin F (C01 family)	0.0217	1	1
Onchocerca volvulus		0.0217	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Displacement (binding)	= 10 %	Displacement of [125I]-apamin from calcium-activated potassium (SK) channels of rat cortex at 10 uM	ChEMBL.	16033276
Displacement (binding)	= 10 %	Displacement of [125I]-apamin from calcium-activated potassium (SK) channels of rat cortex at 10 uM	ChEMBL.	16033276

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

PubChem: 11439437

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 330214