TDR Targets

Basic information

Technical information

TDR Targets ID: 1047014
Name: 7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahy dronaphthalen-2-amine hydrochloride
MW: 319.826 | Formula: C18H22ClNO2
H donors: 1 H acceptors: 0 LogP: 5.06 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)NC1CCc2c(C1)cc(cc2)OC.Cl
InChi: 1S/C18H21NO2.ClH/c1-20-17-9-6-15(7-10-17)19-16-5-3-13-4-8-18(21-2)12-14(13)11-16;/h4,6-10,12,16,19H,3,5,11H2,1-2H3;1H
InChiKey: DDGJYFVHWNXJFE-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

7-methoxy-N-(4-methoxyphenyl)tetralin-2-amine hydrochloride
7-methoxy-N-(4-methoxyphenyl)-2-tetralinamine hydrochloride
(4-methoxyphenyl)-(7-methoxytetralin-2-yl)amine 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
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0426	0.0416
Brugia malayi	beta-lactamase	0.0037	0.0511	0.1105
Schistosoma mansoni	hypothetical protein	0.0072	0.1236	0.4155
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.007	0.0066
Echinococcus granulosus	intermediate filament protein	0.0028	0.0314	0.0304
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.0715	0.1385
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0044	0.0649	0.8964
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.1236	0.2814
Trichomonas vaginalis	esterase, putative	0.0037	0.0511	0.091
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0238	0.4732	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0011	0.0025
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0426	0.0416
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0511	0.0946
Treponema pallidum	NADH oxidase	0.0016	0.007	0.5
Echinococcus granulosus	neuropeptide receptor A26	0.0488	1	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0426	0.0416
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.2532	0.877
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0382	0.0371
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0107	0.1981	0.4099
Entamoeba histolytica	hypothetical protein	0.0072	0.1251	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0426	0.1268
Onchocerca volvulus		0.0037	0.0511	0.0427
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.073	0.072
Brugia malayi	intermediate filament protein	0.0028	0.0314	0.0642
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0107	0.1981	0.4099
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0511	1
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0016	0.007	0.5
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0144	0.2771	0.2764
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1236	0.2885
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0105	0.1935	0.446
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0511	0.1192
Schistosoma mansoni	transcription factor LCR-F1	0.0072	0.1251	0.4207
Brugia malayi	RNA recognition motif domain containing protein	0.0133	0.2532	0.5867
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0511	0.091
Toxoplasma gondii	ABC1 family protein	0.0037	0.0511	0.6831
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0314	0.0733
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0511	0.091
Loa Loa (eye worm)	acetyltransferase	0.0149	0.2859	0.667
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.2532	0.877
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0511	0.6831
Echinococcus multilocularis	neuropeptide receptor A26	0.0488	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.2532	0.877
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0133	0.2532	0.5908
Echinococcus multilocularis	musashi	0.0028	0.0314	0.0304
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0511	0.157
Brugia malayi	hypothetical protein	0.0072	0.1251	0.2849
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0511	0.157
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.073	0.072
Trypanosoma brucei	trypanothione reductase	0.0047	0.0715	1
Brugia malayi	Pre-SET motif family protein	0.0216	0.4287	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0382	0.0371
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.0715	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0382	0.111
Echinococcus multilocularis	tar DNA binding protein	0.0133	0.2532	0.2524
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0357	0.0347
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0511	0.091
Loa Loa (eye worm)	RNA binding protein	0.0133	0.2532	0.5908
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0044	0.0649	0.8964
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.2532	0.877
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0426	0.0416
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0511	0.0946
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0044	0.0649	0.1194
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.0715	0.0705
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0511	0.1192
Brugia malayi	TAR-binding protein	0.0133	0.2532	0.5867
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0016	0.007	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0314	0.0733
Echinococcus granulosus	lamin	0.0028	0.0314	0.0304
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0149	0.2859	0.9934
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0511	0.1192
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.073	0.072
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0511	0.0946
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0044	0.0649	0.8964
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0511	0.6831
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0314	0.0733
Mycobacterium tuberculosis	Probable oxidoreductase	0.0119	0.2232	0.4638
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0382	0.111
Schistosoma mansoni	hypothetical protein	0.0033	0.0426	0.1268
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0382	0.089
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.073	0.162
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.0715	0.1669
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0511	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1935	0.4514
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.073	0.1702
Mycobacterium ulcerans	lipase LipD	0.0037	0.0511	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0511	0.0501
Brugia malayi	beta-lactamase family protein	0.0037	0.0511	0.1105
Schistosoma mansoni	hypothetical protein	0.0072	0.1251	0.4207
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0314	0.0642
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0382	0.0371
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0426	0.0994
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0119	0.2232	1
Trichomonas vaginalis	set domain proteins, putative	0.0246	0.4916	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.073	0.072
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0304	0.0708
Loa Loa (eye worm)	glutathione reductase	0.0047	0.0715	0.1669
Brugia malayi	RNA binding protein	0.0133	0.2532	0.5867
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0107	0.1981	0.4099
Onchocerca volvulus		0.0246	0.4916	1
Echinococcus granulosus	tar DNA binding protein	0.0133	0.2532	0.2524
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0105	0.1935	0.446
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0016	0.007	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0511	0.1192
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0314	0.087
Entamoeba histolytica	hypothetical protein	0.0072	0.1251	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.0715	0.0705
Loa Loa (eye worm)	TAR-binding protein	0.0133	0.2532	0.5908
Plasmodium falciparum	thioredoxin reductase	0.0047	0.0715	1
Entamoeba histolytica	hypothetical protein	0.0072	0.1251	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0511	0.1192
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0511	0.1192
Brugia malayi	glutathione reductase	0.0047	0.0715	0.1587
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0511	0.091
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0511	0.0946
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.073	0.235
Entamoeba histolytica	hypothetical protein	0.0072	0.1251	1
Toxoplasma gondii	thioredoxin reductase	0.0047	0.0715	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0044	0.0649	0.0638
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0511	1
Plasmodium vivax	SET domain protein, putative	0.0031	0.0382	0.4828
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0511	0.091
Mycobacterium tuberculosis	Probable dehydrogenase	0.0107	0.1981	0.4099
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0511	0.1192
Brugia malayi	MH2 domain containing protein	0.0124	0.2343	0.5421
Echinococcus multilocularis	lamin dm0	0.0028	0.0314	0.0304
Echinococcus granulosus	lamin dm0	0.0028	0.0314	0.0304
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0511	0.0946
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0105	0.1935	0.4514
Leishmania major	trypanothione reductase	0.0047	0.0715	1
Brugia malayi	Pre-SET motif family protein	0.0031	0.0382	0.08
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0149	0.2859	0.2851
Echinococcus granulosus	GPCR family 2	0.0033	0.0426	0.0416
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0511	0.6831
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0382	0.4828
Brugia malayi	Thioredoxin reductase	0.0047	0.0715	0.1587
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0072	0.1251	0.1242
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0511	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0107	0.1981	0.8539
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0511	0.0501
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.073	0.235
Onchocerca volvulus		0.0037	0.0511	0.0427
Schistosoma mansoni	lamin	0.0028	0.0314	0.087
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0426	0.0994
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.073	0.235
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0511	0.0946
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0119	0.2232	0.4638
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0426	0.0905
Brugia malayi	beta-lactamase family protein	0.0037	0.0511	0.1105
Schistosoma mansoni	hypothetical protein	0.0033	0.0426	0.1268
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.2532	0.877
Schistosoma mansoni	hypothetical protein	0.0033	0.0426	0.1268
Plasmodium vivax	glutathione reductase, putative	0.0047	0.0715	1
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0426	0.0905
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0511	0.6831
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0044	0.0649	0.1194
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0119	0.2232	0.4638
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.007	0.5
Onchocerca volvulus		0.0031	0.0382	0.0146
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0042	0.0098
Echinococcus multilocularis	lamin	0.0028	0.0314	0.0304
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.007	0.5
Plasmodium falciparum	glutathione reductase	0.0047	0.0715	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0124	0.2343	0.5465
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0511	0.0946
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0216	0.4287	1
Giardia lamblia	Histone acetyltransferase GCN5	0.004	0.0572	1
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0426	0.0416
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0107	0.1981	0.4099
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0511	0.0946
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0511	0.1192
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0382	0.111
Onchocerca volvulus		0.0037	0.0511	0.0427
Plasmodium falciparum	histone acetyltransferase GCN5	0.004	0.0572	0.7775
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0511	0.1105
Echinococcus multilocularis	neuropeptide s receptor	0.0488	1	1
Brugia malayi	acetyltransferase, GNAT family protein	0.0149	0.2859	0.6637
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.0715	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0124	0.2343	0.5465
Mycobacterium tuberculosis	Probable reductase	0.0107	0.1981	0.4099
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0382	0.111
Schistosoma mansoni	lamin	0.0028	0.0314	0.087
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0511	0.0946
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0511	0.0946
Leishmania major	hypothetical protein, conserved	0.0037	0.0511	0.6831
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0072	0.1251	0.1242

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	> 64 umol/L	Antifungal activity against Candida albicans after 24 hrs	ChEMBL.	17900179
MIC (functional)	> 64 umol/L	Antifungal activity against Cryptococcus neoformans after 72 hrs	ChEMBL.	17900179

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

ChEMBL: CHEMBL556557

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 1047014