DIETHYLSTILBESTROL DIPHOSPHATE


Trade Names	STILPHOSTROL
Synonyms	Diethylstilbestrol diphosphate Fosfestrol Stilphostrol
Status
Molecule Category	Free-form
UNII	A0E0NMA80F
EPA CompTox	DTXSID3046906
Parent Compound:	DIETHYLSTILBESTROL


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	NLORYLAYLIXTID-ISLYRVAYSA-N
Smiles	CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1
InChI	InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+

Mechanism of Action	Action	Reference
Estrogen receptor agonist	AGONIST	ISBN


Protein: Estrogen receptor Description: Estrogen receptor Organism : Homo sapiens P03372 ENSG00000091831











Protein: Estrogen receptor Description: Estrogen receptor beta Organism : Homo sapiens Q92731 ENSG00000140009

Assay Description	Organism	Bioactivity
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	-8.19 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	19.7 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	0.8 %	Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	0.8 %

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