TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 331.338 | Formula: C18H18FNO4
H donors: 0 H acceptors: 1 LogP: 2.53 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(cc(c1OC)OC)N1C(=O)CC1c1ccc(cc1)F
InChi: 1S/C18H18FNO4/c1-22-15-8-13(9-16(23-2)18(15)24-3)20-14(10-17(20)21)11-4-6-12(19)7-5-11/h4-9,14H,10H2,1-3H3
InChiKey: XBXZWEAJPSGATM-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

No synonyms found for this compound

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
Schistosoma mansoni	potassium channel beta	0.0079	0.079	0.0783
Giardia lamblia	Aldose reductase	0.0272	0.3706	1
Brugia malayi	Cytochrome P450 family protein	0.0095	0.1031	0.2423
Trichomonas vaginalis	aldo-keto reductase, putative	0.0272	0.3706	1
Echinococcus granulosus	epidermal growth factor receptor	0.0165	0.209	0.2084
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0336	0.0793
Echinococcus multilocularis	aldo keto reductase	0.0272	0.3706	0.3701
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0269	0.0262
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0269	0.0262
Mycobacterium ulcerans	oxidoreductase	0.0272	0.3706	1
Brugia malayi	Phosphoglycerate kinase	0.0164	0.2086	0.4919
Giardia lamblia	Aldose reductase	0.0272	0.3706	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.2155	0.5697
Toxoplasma gondii	phosphoglycerate kinase PGKII	0.0164	0.2086	0.5226
Trichomonas vaginalis	glucosylceramidase, putative	0.0178	0.2292	0.6079
Brugia malayi	Protein kinase domain containing protein	0.0098	0.1081	0.2541
Loa Loa (eye worm)	oxidoreductase	0.0272	0.3706	0.8755
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0269	0.0262
Echinococcus multilocularis	neuropeptide s receptor	0.0451	0.6415	0.6412
Leishmania major	phosphoglycerate kinase C, glycosomal	0.0164	0.2086	0.5153
Schistosoma mansoni	tsg101-related	0.0046	0.0298	0.0291
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0041	0.0221	0.0456
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0272	0.3706	0.3701
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.3493	0.9409
Trypanosoma cruzi	aldo/keto reductase, putative	0.0272	0.3706	0.9234
Schistosoma mansoni	aldo-keto reductase	0.0272	0.3706	0.3701
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0272	0.3706	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0269	0.0262
Schistosoma mansoni	tyrosine kinase	0.0165	0.209	0.2084
Brugia malayi	NADH-dependent xylose reductase	0.0079	0.079	0.1852
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0272	0.3706	0.9234
Entamoeba histolytica	aldose reductase, putative	0.0272	0.3706	1
Plasmodium falciparum	phosphoglycerate kinase	0.0164	0.2086	1
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0306	0.4233	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0272	0.3706	0.8753
Trichomonas vaginalis	aldo-keto reductase, putative	0.0272	0.3706	1
Brugia malayi	hypothetical protein	0.0068	0.0626	0.1463
Trichomonas vaginalis	aldo-keto reductase, putative	0.0272	0.3706	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.2155	0.5697
Entamoeba histolytica	phosphoglycerate kinase, putative	0.0164	0.2086	0.5246
Echinococcus multilocularis	insulin receptor	0.0098	0.1081	0.1074
Loa Loa (eye worm)	oxidoreductase	0.0272	0.3706	0.8755
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.3493	0.9409
Trichomonas vaginalis	aldo-keto reductase, putative	0.0272	0.3706	1
Leishmania major	aldo-keto reductase-like protein	0.0272	0.3706	0.9234
Onchocerca volvulus		0.0079	0.079	0.2116
Schistosoma mansoni	phosphoglycerate kinase	0.0164	0.2086	0.208
Trypanosoma brucei	prostaglandin f synthase	0.0272	0.3706	0.9234
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0272	0.3706	0.3701
Trichomonas vaginalis	aldo-keto reductase, putative	0.0079	0.079	0.1913
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0272	0.3706	0.3701
Echinococcus multilocularis	aldo keto reductase	0.0272	0.3706	0.3701
Echinococcus granulosus	insulin receptor	0.0098	0.1081	0.1074
Brugia malayi	Phosphoglycerate kinase	0.006	0.0513	0.1197
Trichomonas vaginalis	aldo-keto reductase, putative	0.0272	0.3706	1
Echinococcus multilocularis		0.0095	0.1035	0.1028
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0258	0.3493	0.8249
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0164	0.2086	0.5507
Echinococcus multilocularis	tumor susceptibility gene 101 protein	0.0068	0.0626	0.0619
Schistosoma mansoni	tyrosine kinase	0.0163	0.2063	0.2058
Schistosoma mansoni	tyrosine kinase	0.0306	0.4233	0.4229
Echinococcus granulosus	aldo keto reductase	0.0272	0.3706	0.3701
Echinococcus granulosus	phosphoglycerate kinase 1	0.0164	0.2086	0.208
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0103	0.0244
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0272	0.3706	0.3701
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0272	0.3706	0.3701
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0272	0.3706	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0079	0.079	0.1444
Leishmania major	prostaglandin f synthase, putative	0.0272	0.3706	0.9234
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0079	0.079	0.0783
Trichomonas vaginalis	aldo-keto reductase, putative	0.0272	0.3706	1
Onchocerca volvulus		0.0272	0.3706	1
Loa Loa (eye worm)	hypothetical protein	0.0164	0.2086	0.4928
Loa Loa (eye worm)	oxidoreductase	0.0272	0.3706	0.8755
Echinococcus granulosus	neuropeptide receptor A26	0.0451	0.6415	0.6412
Schistosoma mansoni	tyrosine kinase	0.0098	0.1081	0.1074
Onchocerca volvulus		0.0272	0.3706	1
Onchocerca volvulus		0.0272	0.3706	1
Brugia malayi	Furin-like cysteine rich region family protein	0.0306	0.4233	1
Echinococcus granulosus	voltage gated potassium channel subunit	0.0079	0.079	0.0783
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0079	0.079	0.1913
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0626	0.1478
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0138	0.1688	0.415
Brugia malayi	Cytochrome P450 family protein	0.0029	0.004	0.0077
Mycobacterium ulcerans	hypothetical protein	0.0154	0.1924	0.5138
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0292	0.401	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0272	0.3706	0.3701
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.2155	0.5697
Schistosoma mansoni	phosphoglycerate kinase	0.0164	0.2086	0.208
Plasmodium vivax	phosphoglycerate kinase, putative	0.0164	0.2086	1
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.006	0.0513	0.1192
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0269	0.0262
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.3493	0.9409
Trichomonas vaginalis	aldo-keto reductase, putative	0.0079	0.079	0.1913
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0272	0.3706	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.3493	0.9409
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0272	0.3706	1
Toxoplasma gondii	aldo-keto reductase	0.0079	0.079	0.1408
Echinococcus multilocularis	aldo keto reductase	0.0272	0.3706	0.3701
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0272	0.3706	0.3701
Schistosoma mansoni	tyrosine kinase	0.0165	0.209	0.2084
Trichomonas vaginalis	aldo/keto reductase, putative	0.0272	0.3706	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0221	0.0456
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0272	0.3706	0.3701
Leishmania major	phosphoglycerate kinase B, cytosolic	0.0164	0.2086	0.5153
Trichomonas vaginalis	aldo-keto reductase, putative	0.0272	0.3706	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0154	0.1924	0.3887
Echinococcus multilocularis	aldo keto reductase	0.0272	0.3706	0.3701
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0272	0.3706	0.9234
Trichomonas vaginalis	aldo-keto reductase, putative	0.0272	0.3706	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.3493	0.9409
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0164	0.2086	0.5507
Trypanosoma brucei	phosphoglycerate kinase	0.0164	0.2086	0.5153
Trichomonas vaginalis	aldo-keto reductase, putative	0.0272	0.3706	1
Schistosoma mansoni	tsg101-related	0.0056	0.0454	0.0447
Trypanosoma cruzi	3-phosphoglycerate kinase, glycosomal	0.006	0.0513	0.1192
Mycobacterium leprae	Probable phosphoglycerate kinase Pgk	0.0164	0.2086	0.4443
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0272	0.3706	0.3701
Echinococcus multilocularis	aldehyde reductase	0.0193	0.2517	0.2511
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0292	0.401	1
Echinococcus multilocularis	epidermal growth factor receptor	0.0306	0.4233	0.4229
Entamoeba histolytica	aldose reductase, putative	0.0272	0.3706	1
Loa Loa (eye worm)	oxidoreductase	0.0272	0.3706	0.8755
Loa Loa (eye worm)	oxidoreductase	0.0272	0.3706	0.8755
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0098	0.1081	0.1074
Trypanosoma cruzi	aldo-keto reductase	0.0272	0.3706	0.9234
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0103	0.0227
Mycobacterium ulcerans	phosphoglycerate kinase	0.0164	0.2086	0.558
Echinococcus granulosus	tumor susceptibility gene 101 protein	0.0068	0.0626	0.0619
Wolbachia endosymbiont of Brugia malayi	phosphoglycerate kinase	0.0164	0.2086	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.004	0.0094
Chlamydia trachomatis	phosphoglycerate kinase	0.0164	0.2086	0.5
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0272	0.3706	0.8753
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.006	0.0513	0.1192
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0272	0.3706	0.3701
Echinococcus multilocularis	epidermal growth factor receptor	0.0165	0.209	0.2084
Echinococcus multilocularis	neuropeptide receptor A26	0.0451	0.6415	0.6412
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0007	0.0018
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.2155	0.5697
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0272	0.3706	0.3701
Trypanosoma cruzi	aldo/keto reductase, putative	0.0079	0.079	0.1889
Echinococcus multilocularis	microtubule associated protein 2	0.0688	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0269	0.0262
Schistosoma mansoni	hypothetical protein	0.0033	0.0103	0.0096
Trypanosoma brucei	phosphoglycerate kinase	0.0164	0.2086	0.5153
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0258	0.3493	0.8252
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0336	0.0777
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0164	0.2086	0.5153
Trichomonas vaginalis	aldo-keto reductase, putative	0.0272	0.3706	1
Loa Loa (eye worm)	TK/INSR protein kinase	0.0098	0.1081	0.2554
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0079	0.079	0.1867
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.3493	0.9409
Mycobacterium leprae	Conserved hypothetical protein	0.0193	0.2517	0.5922
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.006	0.0513	0.1192
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0272	0.3706	0.8753
Schistosoma mansoni	microtubule-associated protein tau	0.0688	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0272	0.3706	0.3701
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0079	0.079	0.1889
Schistosoma mansoni	pol-related	0.0272	0.3706	0.3701
Treponema pallidum	phosphoglycerate kinase	0.0164	0.2086	0.5
Onchocerca volvulus		0.0272	0.3706	1
Echinococcus granulosus	aldehyde reductase	0.0193	0.2517	0.2511
Trypanosoma brucei	phosphoglycerate kinase, putative	0.006	0.0513	0.1192
Leishmania major	mitochondrial DNA polymerase beta	0.0292	0.401	1
Trypanosoma brucei	phosphoglycerate kinase	0.006	0.0513	0.1192
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0079	0.079	0.1444
Entamoeba histolytica	aldose reductase, putative	0.0272	0.3706	1
Schistosoma mansoni	tyrosine kinase	0.0163	0.2063	0.2058
Toxoplasma gondii	aldose reductase, putative	0.0272	0.3706	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0272	0.3706	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0079	0.079	0.1852
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0272	0.3706	0.3701
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0269	0.0262
Mycobacterium tuberculosis	Probable phosphoglycerate kinase Pgk	0.0164	0.2086	0.4443
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.004	0.0094
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0336	0.0777
Schistosoma mansoni	tsg101-related	0.0056	0.0454	0.0447
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0269	0.0635
Echinococcus granulosus	epidermal growth factor receptor	0.0306	0.4233	0.4229
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0041	0.0221	0.0456
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0269	0.0619
Trichomonas vaginalis	aldo-keto reductase, putative	0.0079	0.079	0.1913
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0336	0.0793
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0272	0.3706	0.3701
Schistosoma mansoni	aldo-keto reductase	0.0272	0.3706	0.3701
Trichomonas vaginalis	aldo/keto reductase, putative	0.0272	0.3706	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.2155	0.5697
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0272	0.3706	0.3701
Loa Loa (eye worm)	hypothetical protein	0.0272	0.3706	0.8755
Echinococcus granulosus	aldo keto reductase	0.0272	0.3706	0.3701
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0272	0.3706	0.3701
Schistosoma mansoni	tyrosine kinase	0.0098	0.1081	0.1074
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0079	0.079	0.0783
Echinococcus multilocularis	phosphoglycerate kinase 1	0.0164	0.2086	0.208
Onchocerca volvulus		0.0272	0.3706	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0178	0.2292	0.6079
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0272	0.3706	0.3701
Onchocerca volvulus	Glucosylceramidase homolog	0.0169	0.2155	0.5805
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0098	0.1081	0.1074
Trichomonas vaginalis	aldo-keto reductase, putative	0.0272	0.3706	1
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0079	0.079	0.1408
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0272	0.3706	0.8753
Onchocerca volvulus		0.0272	0.3706	1
Toxoplasma gondii	phosphoglycerate kinase PGKI	0.0164	0.2086	0.5226
Schistosoma mansoni	tyrosine kinase	0.0163	0.2063	0.2058
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.006	0.0513	0.1192
Trichomonas vaginalis	aldo-keto reductase, putative	0.0272	0.3706	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0272	0.3706	0.3701
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0138	0.1688	0.415
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0079	0.079	0.1408
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.006	0.0513	0.1192
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0007	0.0018
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0138	0.1688	0.415
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.079	0.1913
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0272	0.3706	0.3701
Echinococcus granulosus	hypothetical protein	0.0272	0.3706	0.3701
Loa Loa (eye worm)	cytochrome P450 family protein	0.0095	0.1031	0.2437
Mycobacterium tuberculosis	Probable oxidoreductase	0.0272	0.3706	1
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0164	0.2086	0.5153
Brugia malayi	Cytochrome P450 family protein	0.0029	0.004	0.0077
Loa Loa (eye worm)	CYP4Cod1	0.0029	0.004	0.0094
Trypanosoma brucei	aldo-keto reductase, putative	0.0272	0.3706	0.9234
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0272	0.3706	0.3701
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0292	0.401	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.2155	0.5697
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0165	0.209	0.2084
Echinococcus granulosus	aldo keto reductase	0.0272	0.3706	0.3701
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0221	0.0456
Trypanosoma brucei	aldo/keto reductase, putative	0.0079	0.079	0.1889
Echinococcus granulosus	neuropeptide s receptor	0.0451	0.6415	0.6412
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0007	0.0018
Mycobacterium ulcerans	hypothetical protein	0.0079	0.079	0.2046
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.2155	0.5697
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.005	0.0357	0.0798

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 0 %	Cytotoxicity against human MCF7 cells expressing estrogen receptor assessed as LDH release at 10 uM	ChEMBL.	20933304
Activity (functional)	= 6.3 %	Cytotoxicity against estrogen receptor deficient human MDA-MB-231 cells assessed as LDH release at 10 uM	ChEMBL.	20933304
IC50 (functional)	= 25.95 uM	Antiproliferative activity against human MCF7 cells expressing estrogen receptor after 72 hrs by MTT assay	ChEMBL.	20933304
IC50 (functional)	= 25.95 uM	Antiproliferative activity against estrogen receptor deficient human MDA-MB-231 cells after 72 hrs by MTT assay	ChEMBL.	20933304

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: CHEMBL1631265

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1465961