TDR Targets

Basic information

Technical information

TDR Targets ID: 372665
Name: 6,8-dimethoxy-2,2-dimethyl-1-(naphthalen-2-yl methyl)-3,4-dihydro-1H-isoquinolin-2-ium iodi de
MW: 489.389 | Formula: C24H28INO2
H donors: 0 H acceptors: 0 LogP: 5.85 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(OC)c2c(c1)CC[N+](C2Cc1ccc2c(c1)cccc2)(C)C.[I-]
InChi: 1S/C24H28NO2.HI/c1-25(2)12-11-20-15-21(26-3)16-23(27-4)24(20)22(25)14-17-9-10-18-7-5-6-8-19(18)13-17;/h5-10,13,15-16,22H,11-12,14H2,1-4H3;1H/q+1;/p-1
InChiKey: TVDKKFSMVQHHSQ-UHFFFAOYSA-M

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

6,8-dimethoxy-2,2-dimethyl-1-(2-naphthylmethyl)-3,4-dihydro-1H-isoquinolin-2-ium iodide
6,8-dimethoxy-2,2-dimethyl-1-(2-naphthalenylmethyl)-3,4-dihydro-1H-isoquinolin-2-ium iodide

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	0.0035	0.0348	0.0345
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0348	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0089	0.3031	0.944
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0042	0.07	0.205
Brugia malayi	beta-lactamase family protein	0.0035	0.0348	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0042	0.07	0.0756
Brugia malayi	conserved hypotetical protein	0.0042	0.07	0.0756
Onchocerca volvulus	Bile acid receptor homolog	0.0089	0.3031	0.2994
Schistosoma mansoni	retinoic acid receptor RXR	0.0089	0.3031	0.943
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3031	0.3477
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.165	0.5056
Brugia malayi	hypothetical protein	0.0047	0.095	0.1047
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0042	0.07	0.0756
Schistosoma mansoni	nuclear receptor	0.0042	0.07	0.205
Onchocerca volvulus		0.0089	0.3031	0.2994
Loa Loa (eye worm)	cytochrome P450 family protein	0.0031	0.017	0.0137
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0089	0.3031	0.944
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0089	0.3031	0.3477
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0089	0.3031	0.3477
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0089	0.3031	0.943
Brugia malayi	nuclear hormone receptor family member odr-7	0.0042	0.07	0.0756
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0089	0.3031	0.3477
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.165	0.5056
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0042	0.07	0.205
Brugia malayi	hypothetical protein	0.0042	0.07	0.0756
Brugia malayi	Pre-SET motif family protein	0.0202	0.8618	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.07	0.0756
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.165	1
Trichomonas vaginalis	set domain proteins, putative	0.023	1	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.165	0.1396
Onchocerca volvulus		0.0042	0.07	0.0651
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0089	0.3031	0.3477
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0089	0.3031	0.944
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0042	0.07	0.205
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0348	0.0936
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.9671	1
Schistosoma mansoni	nuclear hormone receptor	0.0042	0.07	0.205
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0089	0.3031	0.3477
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0348	1
Echinococcus granulosus	FTZ F1 alpha	0.0089	0.3031	0.944
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0089	0.3031	0.943
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.3211	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0042	0.07	0.205
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0089	0.3031	0.943
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0042	0.07	0.0756
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0089	0.3031	0.943
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0089	0.3031	0.3477
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0089	0.3031	0.944
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.3211	0.3688
Schistosoma mansoni	coup transcription factor	0.0089	0.3031	0.943
Loa Loa (eye worm)	hypothetical protein	0.0042	0.07	0.0756
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0089	0.3031	0.943
Loa Loa (eye worm)	hypothetical protein	0.0042	0.07	0.0756
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0042	0.07	0.0651
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0089	0.3031	0.943
Loa Loa (eye worm)	hypothetical protein	0.0042	0.07	0.0756
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0089	0.3031	0.3477
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0089	0.3031	0.3477
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0042	0.07	0.205
Schistosoma mansoni	nuclear hormone receptor	0.0042	0.07	0.205
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0348	0.1204
Loa Loa (eye worm)	cytochrome P450 family protein	0.0052	0.1181	0.1317
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0089	0.3031	0.3477
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0348	0.0345
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0348	0.0936
Loa Loa (eye worm)	hypothetical protein	0.0042	0.07	0.0756
Brugia malayi	nuclear hormone receptor	0.0042	0.07	0.0756
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3031	0.3477
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0042	0.07	0.218
Echinococcus granulosus	nuclear receptor nhr 48	0.0042	0.07	0.218
Onchocerca volvulus	Protein ultraspiracle homolog	0.0089	0.3031	0.2994
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3031	0.3477
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.165	1
Brugia malayi	Nuclear hormone receptor E75	0.0042	0.07	0.0756
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0047	0.095	0.284
Schistosoma mansoni	RAR-like nuclear receptor	0.0089	0.3031	0.943
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0089	0.3031	0.3477
Brugia malayi	nuclear receptor NHR-88	0.0042	0.07	0.0756
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0089	0.3031	0.3477
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0047	0.095	0.284
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0047	0.095	0.1047
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.3211	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0089	0.3031	0.3477
Brugia malayi	orphan nuclear receptor NR2E1	0.0042	0.07	0.0756
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.3211	0.3688
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0089	0.3031	0.943
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.165	1
Echinococcus multilocularis	FTZ F1 alpha	0.0089	0.3031	0.943
Brugia malayi	ecdysone receptor	0.0042	0.07	0.0756
Loa Loa (eye worm)	hypothetical protein	0.0042	0.07	0.0756
Loa Loa (eye worm)	hypothetical protein	0.0042	0.07	0.0756
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0089	0.3031	0.3477
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0042	0.07	0.218
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0348	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0047	0.095	0.1047
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0047	0.095	0.284
Brugia malayi	nuclear receptor RXR	0.0042	0.07	0.0756
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0089	0.3031	0.944
Loa Loa (eye worm)	hypothetical protein	0.0042	0.07	0.0756
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0089	0.3031	0.943
Echinococcus multilocularis	nuclear receptor nhr 48	0.0042	0.07	0.205
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0348	0.1085
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0089	0.3031	0.3477
Brugia malayi	ecdysteroid receptor	0.0089	0.3031	0.3477
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.165	1
Schistosoma mansoni	nuclear hormone receptor	0.0089	0.3031	0.943
Loa Loa (eye worm)	hypothetical protein	0.0042	0.07	0.0756
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0348	0.1204
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0089	0.3031	0.3477
Loa Loa (eye worm)	hypothetical protein	0.0047	0.095	0.1047
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0348	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.3211	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0042	0.07	0.0756
Brugia malayi	Cytochrome P450 family protein	0.0031	0.017	0.0137
Schistosoma mansoni	nuclear receptor	0.0042	0.07	0.205
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0348	0.0936
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.165	0.5056
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0053	0.0164
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0089	0.3031	0.943
Brugia malayi	Nuclear hormone receptor-like 1	0.0047	0.095	0.1047
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0089	0.3031	0.3477
Leishmania major	hypothetical protein, conserved	0.0035	0.0348	0.1204
Brugia malayi	nuclear receptor NHR-88	0.0089	0.3031	0.3477
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0348	0.0345
Onchocerca volvulus		0.0035	0.0348	0.0297
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0089	0.3031	0.944
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0042	0.07	0.205
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0348	0.0345
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0089	0.3031	0.943
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0348	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0089	0.3031	0.943
Brugia malayi	beta-lactamase family protein	0.0035	0.0348	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0042	0.07	0.0756
Echinococcus granulosus	thyroid hormone receptor alpha	0.0042	0.07	0.218
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0089	0.3031	0.944
Brugia malayi	hypothetical protein	0.0042	0.07	0.0756
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0089	0.3031	0.943
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0348	0.0345
Brugia malayi	nuclear receptor RXR	0.0047	0.095	0.1047
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0089	0.3031	0.3477
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0042	0.07	0.0651
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0348	1
Brugia malayi	Nuclear hormone receptor E75	0.0042	0.07	0.0756
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0089	0.3031	0.3477
Schistosoma mansoni	thyroid hormone receptor	0.0089	0.3031	0.943
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0348	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0042	0.07	0.218
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0348	0.1204
Brugia malayi	Steroid receptor seven-up type 2	0.0089	0.3031	0.3477
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.3211	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0042	0.07	0.205
Mycobacterium ulcerans	lipase LipD	0.0035	0.0348	0.1204
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3031	0.3477
Loa Loa (eye worm)	steroid hormone receptor	0.0089	0.3031	0.3477
Loa Loa (eye worm)	hypothetical protein	0.0042	0.07	0.0756
Toxoplasma gondii	ABC1 family protein	0.0035	0.0348	0.1851
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0042	0.07	0.0756
Loa Loa (eye worm)	hypothetical protein	0.0047	0.095	0.1047
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0089	0.3031	0.2994
Brugia malayi	Nuclear hormone receptor-like 1	0.0047	0.095	0.1047
Brugia malayi	Nuclear hormone receptor-like 1	0.0089	0.3031	0.3477
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0042	0.07	0.0756
Brugia malayi	nuclear hormone receptor	0.0089	0.3031	0.3477
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0047	0.095	0.2958
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0042	0.07	0.218
Loa Loa (eye worm)	DR-78	0.0042	0.07	0.0756
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0348	0.1204
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0348	0.0345
Loa Loa (eye worm)	cytochrome P450 family protein	0.0031	0.017	0.0137
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.165	0.5137
Schistosoma mansoni	thyroid hormone receptor	0.0089	0.3031	0.943
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0089	0.3031	0.3477
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0089	0.3031	0.943
Brugia malayi	beta-lactamase	0.0035	0.0348	0.0345
Echinococcus granulosus	ecdysone induced protein 78C	0.0089	0.3031	0.944
Loa Loa (eye worm)	hypothetical protein	0.0047	0.095	0.1047
Brugia malayi	steroid hormone receptor	0.0089	0.3031	0.3477
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0348	0.0345
Onchocerca volvulus		0.0035	0.0348	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0348	0.0345
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.165	1
Brugia malayi	hypothetical protein	0.0047	0.095	0.1047
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.3211	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0089	0.3031	0.3477
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3031	0.3477
Loa Loa (eye worm)	hypothetical protein	0.0047	0.095	0.1047
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0089	0.3031	0.3477
Loa Loa (eye worm)	CYP4Cod1	0.0031	0.017	0.0137
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.3211	1
Brugia malayi	Cytochrome P450 family protein	0.0031	0.017	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3031	0.3477
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0089	0.3031	0.943
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.3211	1
Brugia malayi	Cytochrome P450 family protein	0.0052	0.1181	0.1317
Onchocerca volvulus		0.0042	0.07	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3031	0.3477
Schistosoma mansoni	zinc finger protein	0.0042	0.07	0.205
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0042	0.07	0.205
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.8618	1
Brugia malayi	tailless protein	0.0042	0.07	0.0756
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3031	0.3477
Brugia malayi	nuclear receptor NHR-67	0.0042	0.07	0.0756
Onchocerca volvulus		0.0035	0.0348	0.0297
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0089	0.3031	0.943
Loa Loa (eye worm)	hypothetical protein	0.0042	0.07	0.0756

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 2 %	Displacement of [125I]apamin from Wistar rat cortical apamin-sensitive site at 10 uM	ChEMBL.	17125273
Activity (binding)	= 2 %	Displacement of [125I]apamin from Wistar rat cortical apamin-sensitive site at 10 uM	ChEMBL.	17125273

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: 11995460

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 372665