TDR Targets

Basic information

Technical information

TDR Targets ID: 165637
Name: 2-[3-(dimethylamino)phenyl]-1-methyl-1-[4-(2- piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoqu inolin-6-ol
MW: 485.66 | Formula: C31H39N3O2
H donors: 1 H acceptors: 1 LogP: 6.08 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc2c(c1)CCN(C2(C)c1ccc(cc1)OCCN1CCCCC1)c1cccc(c1)N(C)C
InChi: 1S/C31H39N3O2/c1-31(25-10-13-29(14-11-25)36-21-20-33-17-5-4-6-18-33)30-15-12-28(35)22-24(30)16-19-34(31)27-9-7-8-26(23-27)32(2)3/h7-15,22-23,35H,4-6,16-21H2,1-3H3
InChiKey: RPGDQMYAMWXMLX-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-[3-(dimethylamino)phenyl]-1-methyl-1-[4-[2-(1-piperidyl)ethoxy]phenyl]-3,4-dihydroisoquinolin-6-ol
2-[3-(dimethylamino)phenyl]-1-methyl-1-[4-(2-piperidinoethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
2-(3-dimethylaminophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
2-(3-dimethylaminophenyl)-1-methyl-1-[4-[2-(1-piperidyl)ethoxy]phenyl]-3,4-dihydroisoquinolin-6-ol
2-(3-dimethylaminophenyl)-1-methyl-1-[4-(2-piperidinoethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	estrogen receptor 1	Starlite/ChEMBL	References
Homo sapiens	estrogen receptor 2 (ER beta)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	hypothetical protein	estrogen receptor 2 (ER beta)	495 aa	418 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0104	0.0719	0.0936
Brugia malayi	nuclear receptor RXR	0.0049	0.0271	0.0353
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0103	0.071	0.0884
Brugia malayi	hypothetical protein	0.0328	0.2544	0.3313
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0022	0.0047	0.0016
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0097	0.0663	0.0822
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0271	0.0309
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0022	0.0047	0.0016
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0104	0.0719	0.0936
Plasmodium falciparum	importin beta, putative	0.0031	0.0126	0.2396
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0078	0.0097
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0022	0.0047	0.0016
Echinococcus multilocularis	tumor susceptibility gene 101 protein	0.0075	0.0486	0.0474
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0078	0.0097
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0104	0.0719	0.0687
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0023	0.0059	0.0031
Trichomonas vaginalis	FMN-dependent NADH-azoreductase, putative	0.0141	0.1022	0.2222
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.0059	0.0024
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0022	0.0047	0.0012
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0104	0.0719	0.0936
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0055	0.0322	0.8322
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0022	0.0047	0.0016
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.1022	0.2222
Brugia malayi	TAR-binding protein	0.0066	0.0409	0.0532
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0049	0.0271	0.0248
Trichomonas vaginalis	conserved hypothetical protein	0.0565	0.4479	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0085	0.0066
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0097	0.0663	0.0822
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0022	0.0047	0.0012
Brugia malayi	hypothetical protein	0.0026	0.0085	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0719	0.0895
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0565	0.4479	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0104	0.0719	0.0936
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.1022	0.2222
Entamoeba histolytica	tumor susceptibility gene 101 protein, putative	0.0051	0.0289	0.0333
Echinococcus granulosus	flap endonuclease 1	0.0055	0.0322	0.0289
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0023	0.0059	0.0054
Brugia malayi	Nuclear hormone receptor E75	0.0049	0.0271	0.0353
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0719	0.0895
Schistosoma mansoni	thyroid hormone receptor	0.0104	0.0719	0.0687
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0023	0.0059	0.0363
Echinococcus multilocularis	dual specificity	0.0097	0.0663	0.066
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.0409	0.0489
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0104	0.0719	0.0687
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0097	0.0663	0.0822
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0334	0.2593	0.3347
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0055	0.0322	0.0376
Leishmania major	trypanothione reductase	0.0062	0.0378	0.0449
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.0664	0.0631
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0141	0.1022	0.2222
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0103	0.071	0.0884
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0022	0.0047	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.0664	0.0631
Schistosoma mansoni	flap endonuclease-1	0.005	0.0279	0.0245
Brugia malayi	hypothetical protein	0.0076	0.0494	0.0644
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0104	0.0719	0.0936
Echinococcus granulosus	ecdysone induced protein 78C	0.0104	0.0719	0.0687
Brugia malayi	Protein kinase domain containing protein	0.0097	0.0663	0.0863
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0104	0.0719	0.0936
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0022	0.0047	1
Echinococcus multilocularis	transcription factor Dp 1	0.0554	0.439	0.4577
Schistosoma mansoni	DNA polymerase eta	0.0047	0.0251	0.0217
Schistosoma mansoni	thyroid hormone receptor	0.0104	0.0719	0.0687
Brugia malayi	serine/threonine-protein kinase plk-2	0.0103	0.071	0.0925
Plasmodium falciparum	thioredoxin reductase	0.0062	0.0378	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0271	0.0309
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0055	0.0319	0.0299
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0049	0.0271	0.0309
Brugia malayi	Nuclear hormone receptor-like 1	0.0055	0.0319	0.0415
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0104	0.0719	0.0895
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0022	0.0047	0.0016
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0104	0.0719	0.0936
Brugia malayi	nuclear receptor NHR-88	0.0104	0.0719	0.0936
Plasmodium vivax	flap endonuclease 1, putative	0.0055	0.0322	0.8322
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0022	0.0047	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.0289	0.0571
Brugia malayi	conserved hypotetical protein	0.0049	0.0271	0.0353
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0049	0.0271	0.0237
Loa Loa (eye worm)	transcription factor SMAD2	0.0129	0.0927	0.1167
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.0664	0.0661
Schistosoma mansoni	hypothetical protein	0.0076	0.0494	0.0461
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0104	0.0719	0.0936
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0719	0.0895
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0104	0.0719	0.0687
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0022	0.0047	0.0346
Brugia malayi	nuclear hormone receptor	0.0104	0.0719	0.0936
Brugia malayi	hypothetical protein	0.0049	0.0271	0.0353
Schistosoma mansoni	nuclear hormone receptor	0.0104	0.0719	0.0687
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0271	0.0309
Echinococcus multilocularis	ecdysone induced protein 78C	0.0104	0.0719	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0319	0.0372
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0126	0.0092
Brugia malayi	orphan nuclear receptor NR2E1	0.0049	0.0271	0.0353
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Echinococcus granulosus	nuclear receptor nhr 48	0.0049	0.0271	0.0237
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0022	0.0047	0.0346
Echinococcus granulosus	tar DNA binding protein	0.0066	0.0409	0.0375
Brugia malayi	Thioredoxin reductase	0.0062	0.0378	0.0492
Treponema pallidum	NADH oxidase	0.0022	0.0047	0.5
Echinococcus granulosus	snurportin 1	0.0334	0.2593	0.2567
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.1022	0.2222
Brugia malayi	nuclear receptor NHR-67	0.0049	0.0271	0.0353
Giardia lamblia	NADPH oxidoreductase, putative	0.0565	0.4479	1
Entamoeba histolytica	Flap nuclease, putative	0.0055	0.0322	0.0376
Trichomonas vaginalis	conserved hypothetical protein	0.0424	0.3327	0.7409
Echinococcus multilocularis	flap endonuclease 1	0.0055	0.0322	0.0302
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0049	0.0271	0.0237
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0104	0.0719	0.0719
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0047	0.0016
Schistosoma mansoni	tsg101-related	0.0063	0.0383	0.035
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0126	0.0096
Brugia malayi	hypothetical protein	0.0055	0.0319	0.0415
Leishmania major	hypothetical protein, conserved	0.0024	0.0068	0.0043
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0085	0.1155
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0957	0.7679	0.7671
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0957	0.7679	1
Leishmania major	GTP-binding protein, putative	0.0023	0.0059	0.0031
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0103	0.071	0.071
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0062	0.0378	0.0361
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0104	0.0719	0.0719
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0047	0.0016
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0409	0.0375
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0104	0.0719	0.0719
Entamoeba histolytica	protein kinase, putative	0.0097	0.0663	0.0822
Schistosoma mansoni	hypothetical protein	0.036	0.2808	0.2782
Loa Loa (eye worm)	hypothetical protein	0.0328	0.2544	0.3282
Trypanosoma brucei	polo-like protein kinase	0.0103	0.071	0.0884
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0104	0.0719	0.0719
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0049	0.0271	0.0237
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0022	0.0047	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0097	0.0663	0.063
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0059	0.0031
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.0664	0.0631
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0085	0.0066
Onchocerca volvulus	Bile acid receptor homolog	0.0104	0.0719	0.1971
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0271	0.0309
Schistosoma mansoni	nuclear receptor	0.0049	0.0271	0.0237
Onchocerca volvulus	Protein ultraspiracle homolog	0.0104	0.0719	0.1971
Trichomonas vaginalis	CAMK family protein kinase	0.0103	0.071	0.1521
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0409	0.0375
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0097	0.0664	0.0864
Entamoeba histolytica	hypothetical protein	0.0076	0.0494	0.0601
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0085	0.0066
Trichomonas vaginalis	CAMK family protein kinase	0.0103	0.071	0.1521
Leishmania major	DNA polymerase eta, putative	0.0033	0.0138	0.0135
Onchocerca volvulus		0.0328	0.2544	1
Brugia malayi	hypothetical protein	0.0055	0.0319	0.0415
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0719	0.0895
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0319	0.0372
Echinococcus multilocularis	geminin	0.036	0.2808	0.2913
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0055	0.0319	0.0285
Loa Loa (eye worm)	RNA binding protein	0.0066	0.0409	0.0489
Trypanosoma cruzi	polo-like protein kinase, putative	0.0103	0.071	0.0884
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0271	0.0309
Trichomonas vaginalis	flap endonuclease-1, putative	0.0055	0.0322	0.0647
Schistosoma mansoni	nuclear receptor	0.0049	0.0271	0.0237
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0055	0.0322	0.0376
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0022	0.0047	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0022	0.0047	0.0016
Echinococcus granulosus	dual specificity	0.0097	0.0663	0.063
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0957	0.7679	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0271	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0271	0.0309
Schistosoma mansoni	coup transcription factor	0.0104	0.0719	0.0687
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0049	0.0271	0.0237
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0126	0.0119
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0103	0.071	0.0678
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0104	0.0719	0.0936
Brugia malayi	ecdysteroid receptor	0.0104	0.0719	0.0936
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0104	0.0719	0.0936
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0104	0.0719	0.0895
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.1022	0.2222
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0022	0.0047	0.0016
Schistosoma mansoni	ran	0.0023	0.0059	0.0024
Brugia malayi	nuclear receptor RXR	0.0055	0.0319	0.0415
Schistosoma mansoni	nuclear receptor nhr-48	0.0049	0.0271	0.0237
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0023	0.0059	0.0363
Trypanosoma cruzi	trypanothione reductase, putative	0.0022	0.0047	0.0016
Schistosoma mansoni	tsg101-related	0.0051	0.0289	0.0255
Brugia malayi	MH2 domain containing protein	0.0129	0.0927	0.1207
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0049	0.0271	0.0237
Schistosoma mansoni	retinoic acid receptor RXR	0.1242	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.1022	0.2222
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0055	0.0322	0.0376
Schistosoma mansoni	hypothetical protein	0.036	0.2808	0.2782
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0049	0.0271	0.0248
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0035	0.0045
Entamoeba histolytica	protein kinase domain containing protein	0.0097	0.0663	0.0822
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0049	0.0271	0.0248
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0022	0.0047	0.0016
Entamoeba histolytica	hypothetical protein	0.0141	0.1022	0.1292
Brugia malayi	RNA binding protein	0.0066	0.0409	0.0532
Brugia malayi	Flap endonuclease-1	0.0055	0.0322	0.042
Trichomonas vaginalis	CAMK family protein kinase	0.0103	0.071	0.1521
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0104	0.0719	0.0687
Trypanosoma brucei	DNA polymerase eta, putative	0.0047	0.0251	0.0283
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0126	0.0119
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0062	0.0378	1
Schistosoma mansoni	tsg101-related	0.0063	0.0383	0.035
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0049	0.0271	0.0353
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0047	0.0016
Toxoplasma gondii	thioredoxin reductase	0.0062	0.0378	1
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.0059	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0085	0.0066
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0076	0.0494	0.0461
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0565	0.4479	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0129	0.0927	0.1167
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0271	0.0309
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0085	0.1155
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Loa Loa (eye worm)	thioredoxin reductase	0.0062	0.0378	0.0449
Brugia malayi	nuclear receptor NHR-88	0.0049	0.0271	0.0353
Brugia malayi	glutathione reductase	0.0062	0.0378	0.0492
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0085	0.1155
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0097	0.0663	0.0822
Giardia lamblia	Kinase, PLK	0.0103	0.071	0.1521
Trichomonas vaginalis	CAMK family protein kinase	0.0103	0.071	0.1521
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.0664	0.0631
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.0664	0.0661
Echinococcus granulosus	geminin	0.036	0.2808	0.2782
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0251	0.0283
Loa Loa (eye worm)	glutathione reductase	0.0062	0.0378	0.0449
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0409	0.0375
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0957	0.7679	0.7671
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0271	0.0309
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0023	0.0059	0.0363
Trichomonas vaginalis	conserved hypothetical protein	0.0565	0.4479	1
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.1022	0.2222
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0957	0.7679	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0049	0.0271	0.0309
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0104	0.0719	0.0895
Brugia malayi	photoreceptor-specific nuclear receptor	0.0104	0.0719	0.0936
Plasmodium falciparum	glutathione reductase	0.0062	0.0378	1
Brugia malayi	steroid hormone receptor	0.0104	0.0719	0.0936
Entamoeba histolytica	hypothetical protein	0.0097	0.0663	0.0822
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0271	0.0309
Trichomonas vaginalis	conserved hypothetical protein	0.0565	0.4479	1
Echinococcus multilocularis	snurportin 1	0.0334	0.2593	0.2688
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0141	0.1022	0.2222
Mycobacterium tuberculosis	Probable oxidoreductase	0.0022	0.0047	0.0346
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0059	0.0076
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0104	0.0719	0.0719
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0104	0.0719	0.0936
Echinococcus multilocularis	histone lysine N methyltransferase NSD3	0.0036	0.0161	0.0132
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.0409	0.0532
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0719	0.0895
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0047	0.0016
Leishmania major	hypothetical protein, conserved	0.0026	0.0085	0.0066
Brugia malayi	hypothetical protein	0.0049	0.0271	0.0353
Trichomonas vaginalis	glutathione reductase, putative	0.0022	0.0047	0.0027
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.0409	0.0489
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0097	0.0663	0.0822
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0049	0.0271	0.0248
Schistosoma mansoni	nuclear hormone receptor	0.0049	0.0271	0.0237
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0104	0.0719	0.0895
Entamoeba histolytica	hypothetical protein	0.0076	0.0494	0.0601
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0104	0.0719	0.0687
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0022	0.0047	0.0061
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0957	0.7679	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0097	0.0664	0.0823
Trichomonas vaginalis	ran, putative	0.0023	0.0059	0.0054
Trichomonas vaginalis	CAMK family protein kinase	0.0103	0.071	0.1521
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0085	0.1155
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.0409	0.0393
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0719	0.0895
Onchocerca volvulus		0.0104	0.0719	0.1971
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0047	0.0016
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0104	0.0719	0.0895
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0271	0.0309
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0104	0.0719	0.0687
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0719	0.0895
Echinococcus granulosus	FTZ F1 alpha	0.0104	0.0719	0.0687
Brugia malayi	Nuclear hormone receptor E75	0.0049	0.0271	0.0353
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0022	0.0047	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0076	0.0494	0.0483
Trichomonas vaginalis	conserved hypothetical protein	0.0565	0.4479	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0486	0.059
Brugia malayi	ImpB/MucB/SamB family protein	0.0047	0.0251	0.0327
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0565	0.4479	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0049	0.0271	0.0237
Schistosoma mansoni	kinase	0.0053	0.03	0.0266
Trichomonas vaginalis	conserved hypothetical protein	0.0565	0.4479	1
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0022	0.0047	0.0016
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0104	0.0719	0.0687
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0022	0.0047	0.0027
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Trypanosoma brucei	trypanothione reductase	0.0062	0.0378	0.0449
Brugia malayi	Nuclear hormone receptor-like 1	0.0104	0.0719	0.0936
Echinococcus granulosus	dna polymerase eta	0.0047	0.0251	0.0217
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0409	0.0375
Brugia malayi	ecdysone receptor	0.0049	0.0271	0.0353
Trichomonas vaginalis	conserved hypothetical protein	0.0565	0.4479	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0055	0.0319	0.0285
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0104	0.0719	0.0936
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.0059	0.0031
Brugia malayi	hypothetical protein	0.0075	0.0486	0.0633
Echinococcus granulosus	histone lysine N methyltransferase NSD3	0.0036	0.0161	0.0126
Trypanosoma brucei	Vps23 core domain containing protein, putative	0.0024	0.0068	0.0043
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0719	0.0895
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0104	0.0719	0.0687
Giardia lamblia	NADPH oxidoreductase, putative	0.0565	0.4479	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0049	0.0271	0.0353
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0104	0.0719	0.0719
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0022	0.0047	0.0016
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.0664	0.0631
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0104	0.0719	0.0687
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0103	0.071	0.1934
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0055	0.0319	0.0372
Giardia lamblia	Flap structure-specific endonuclease	0.0055	0.0322	0.0647
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0957	0.7679	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0047	0.0016
Entamoeba histolytica	hypothetical protein	0.0025	0.0078	0.0056
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0104	0.0719	0.1971
Brugia malayi	nuclear hormone receptor	0.0049	0.0271	0.0353
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.1187	0.9552	1
Brugia malayi	hypothetical protein	0.0017	0.0009	0.0012
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0126	0.2396
Brugia malayi	Steroid receptor seven-up type 2	0.0104	0.0719	0.0936
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0022	0.0047	0.0346
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0104	0.0719	0.0895
Brugia malayi	Importin beta-1 subunit	0.0031	0.0126	0.0164
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.1022	0.2222
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.1022	0.2222
Echinococcus granulosus	thyroid hormone receptor alpha	0.0049	0.0271	0.0237
Trypanosoma cruzi	Vps23 core domain containing protein, putative	0.0024	0.0068	0.0043
Brugia malayi	Nuclear hormone receptor-like 1	0.0055	0.0319	0.0415
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0104	0.0719	0.0687
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0271	0.0309
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0104	0.0719	0.0936
Trichomonas vaginalis	CAMK family protein kinase	0.0103	0.071	0.1521
Loa Loa (eye worm)	nuclear hormone receptor	0.0049	0.0271	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0319	0.0372
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0409	0.0375
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0078	0.0097
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0957	0.7679	1
Echinococcus granulosus	transcription factor Dp 1	0.0554	0.439	0.4371
Trypanosoma cruzi	DNA polymerase eta, putative	0.0033	0.0138	0.0135
Echinococcus granulosus	tumor susceptibility gene 101 protein	0.0075	0.0486	0.0453
Echinococcus multilocularis	FTZ F1 alpha	0.0104	0.0719	0.0719
Trypanosoma cruzi	polo-like protein kinase, putative	0.0103	0.071	0.0884
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0104	0.0719	0.0687
Trichomonas vaginalis	conserved hypothetical protein	0.0565	0.4479	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Trichomonas vaginalis	conserved hypothetical protein	0.0565	0.4479	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0049	0.0271	0.0353
Trichomonas vaginalis	conserved hypothetical protein	0.0565	0.4479	1
Plasmodium vivax	glutathione reductase, putative	0.0062	0.0378	1
Schistosoma mansoni	nuclear hormone receptor	0.0049	0.0271	0.0237
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0126	0.2396
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0022	0.0047	1
Schistosoma mansoni	importin beta-1	0.0031	0.0126	0.0092
Brugia malayi	tailless protein	0.0049	0.0271	0.0353
Plasmodium falciparum	flap endonuclease 1	0.0055	0.0322	0.8322
Leishmania major	DNA polymerase eta, putative	0.0047	0.0251	0.0283
Schistosoma mansoni	hypothetical protein	0.0334	0.2593	0.2567
Echinococcus multilocularis	dna polymerase eta	0.0047	0.0251	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0271	0.0309
Schistosoma mansoni	zinc finger protein	0.0049	0.0271	0.0237
Trypanosoma cruzi	trypanothione reductase, putative	0.0062	0.0378	0.0449
Trichomonas vaginalis	conserved hypothetical protein	0.0565	0.4479	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0957	0.7679	0.8032
Schistosoma mansoni	ran	0.0023	0.0059	0.0024
Giardia lamblia	NADPH oxidoreductase, putative	0.0565	0.4479	1
Entamoeba histolytica	hypothetical protein	0.0076	0.0494	0.0601
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0104	0.0719	0.0895
Schistosoma mansoni	serine/threonine protein kinase	0.0103	0.071	0.0678
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.1022	0.2222
Schistosoma mansoni	SET domain protein	0.0036	0.0161	0.0126
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0126	0.0119
Trichomonas vaginalis	mercuric reductase, putative	0.0022	0.0047	0.0027
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0078	0.0056
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0103	0.071	0.0884
Entamoeba histolytica	modulator of drug activity B homolog, putative	0.0141	0.1022	0.1292
Plasmodium vivax	thioredoxin reductase, putative	0.0062	0.0378	1
Entamoeba histolytica	protein kinase, putative	0.0097	0.0663	0.0822
Echinococcus multilocularis	nuclear receptor nhr 48	0.0049	0.0271	0.0248
Loa Loa (eye worm)	steroid hormone receptor	0.0104	0.0719	0.0895
Trichomonas vaginalis	conserved hypothetical protein	0.0565	0.4479	1
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.0289	0.0571
Trichomonas vaginalis	conserved hypothetical protein	0.0565	0.4479	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0656	0.0813
Loa Loa (eye worm)	DR-78	0.0049	0.0271	0.0309
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0059	0.0031
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0104	0.0719	0.0687
Entamoeba histolytica	Ran family GTPase	0.0023	0.0059	0.0031
Loa Loa (eye worm)	flap endonuclease-1	0.0055	0.0322	0.0376
Trichomonas vaginalis	hypothetical protein	0.0037	0.0171	0.0306
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0055	0.0319	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0319	0.0372
Trichomonas vaginalis	conserved hypothetical protein	0.0565	0.4479	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0022	0.0047	0.0012
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0033	0.0138	0.2758
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0104	0.0719	0.0687
Schistosoma mansoni	RAR-like nuclear receptor	0.0104	0.0719	0.0687
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Brugia malayi	RNA, U transporter 1	0.0089	0.0596	0.0776
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0078	0.0056
Trichomonas vaginalis	modulator of drug activity B, putative	0.0141	0.1022	0.2222
Trichomonas vaginalis	CAMK family protein kinase	0.0103	0.071	0.1521
Schistosoma mansoni	transcription factor LCR-F1	0.0076	0.0494	0.0461
Entamoeba histolytica	iron-sulfur flavoprotein, putative	0.0141	0.1022	0.1292
Trypanosoma cruzi	DNA polymerase eta, putative	0.0047	0.0251	0.0283
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0957	0.7679	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0062	0.0378	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0319	0.0372
Entamoeba histolytica	hypothetical protein	0.0076	0.0494	0.0601
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0104	0.0719	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0656	0.0813

Activities

Activity type	Activity value	Assay description	Source	Reference
Agonism (functional)	= 18 %	Percent agonistic activity in MCF-7 breast tumor cells using MCF-7 assay	ChEMBL.	12825935
Agonism (functional)	= 18 %	Percent agonistic activity in MCF-7 breast tumor cells using MCF-7 assay	ChEMBL.	12825935
EC50 (functional)	< 0.5 nM	Effective concentration against MCF-7 breast tumor cells using MCF-7 assay.	ChEMBL.	12825935
EC50 (functional)	< 0.5 nM	Effective concentration against MCF-7 breast tumor cells using MCF-7 assay.	ChEMBL.	12825935
IC50 (binding)	= 19.8 nM	Inhibitory concentration against estrogen receptor alpha using estrogen response element (ERE) assay.	ChEMBL.	12825935
IC50 (binding)	= 19.8 nM	Inhibitory concentration against estrogen receptor alpha using estrogen response element (ERE) assay.	ChEMBL.	12825935
IC50 (functional)	= 36 nM	Inhibitory concentration against MCF-7 breast tumor cells using MCF-7 assay.	ChEMBL.	12825935
IC50 (functional)	= 36 nM	Inhibitory concentration against MCF-7 breast tumor cells using MCF-7 assay.	ChEMBL.	12825935
IC50 (binding)	= 71 nM	Inhibitory concentration against estrogen receptor alpha using radioligand binding assay.	ChEMBL.	12825935
IC50 (binding)	= 71 nM	Inhibitory concentration against estrogen receptor alpha using radioligand binding assay.	ChEMBL.	12825935
IC50 (binding)	= 2183 nM	Inhibitory concentration against estrogen receptor 2 using estrogen response element (ERE) assay.	ChEMBL.	12825935
IC50 (binding)	= 2183 nM	Inhibitory concentration against estrogen receptor 2 using estrogen response element (ERE) assay.	ChEMBL.	12825935
IC50 (binding)	= 3110 nM	Inhibitory concentration against estrogen receptor 2 using radioligand binding assay.	ChEMBL.	12825935
IC50 (binding)	= 3110 nM	Inhibitory concentration against estrogen receptor 2 using radioligand binding assay.	ChEMBL.	12825935

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	12825935

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: CHEMBL101719
PubChem: 10885394

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 165637