Tan Lab | DSigDB

Gene Set: D4 : CTD - estradiol 3-benzoate

Collection

D4 : CTD

Chemical Name

estradiol 3-benzoate ( From PubChem : OVASTEROL-BETA )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Not	Not	Not	Not	Not	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
376.488 g/mol	1	3	5.1228	False(3/4)

Structure

InChI

InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21+,22-,23-,25+/m1/s1

InChIKey

UYIFTLBWAOGQBI-JRYGSTJPSA-N

Links

Gene (9 / 21)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(binding)			ESR1		C074283
CTD	increases(expression)			F11R		C074283
CTD	decreases(reaction)			F11R		C074283
CTD	increases(expression)			OCLN		C074283
CTD	decreases(reaction)			OCLN		C074283
PubChem	Ratio Potency (uM)	uM	0.535	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.333	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	3.378	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	4.253	AR	-	GI(Protien) :
PubChem	Potency	uM	17.783	ATM	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.001	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.001	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM		ESR1	-	GI(Protien) :
PubChem	None	uM		ESR1	-	GI(Protien) :
PubChem	Potency	uM	29.855	GMNN	-	GI(Protien) :
PubChem	None	uM		MAP1LC3A	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	6.007	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	12.995	TDP1	-	GI(Protien) :
PubChem	Potency	uM	14.581	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	17782.800	ATM	-	Target : CHEMBL3797

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