Tan Lab | DSigDB

Gene Set: D4 : TTD - Alpha-estradiol

Collection

D4 : TTD

Chemical Name

Alpha-estradiol ( From PubChem : ALFATRADIOL )

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
272.382 g/mol	2	2	3.6092	True

Structure

InChI

InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1

InChIKey

Links

Gene (5 / 23)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			AR		Successful target
PubChem	Ratio Potency (uM)	uM	0.302	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.498	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.076	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.230	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.536	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	4.281	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	17.527	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	17.527	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.001	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.001	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.002	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.002	ESR1	-	GI(Protien) :
PubChem	Potency	uM	0.004	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	27.779	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	29.995	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.483	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	57.711	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM		ESR1	-	GI(Protien) :
PubChem	None	uM		NR1H4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	39.811	NR1I2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	6.270	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :

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