Tan Lab | DSigDB

Gene Set: D4 : TTD - ETHISTERONE

Collection

D4 : TTD

Chemical Name

ETHISTERONE ( From PubChem : ETHISTERONE )

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
312.446 g/mol	1	2	3.8826	True

Structure

InChI

InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3

InChIKey

Links

Gene (7 / 26)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			TYR		Successful target
PubChem	Potency	uM	50.119	USP1	-	GI(Protien) :
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.142	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.344	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.422	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.529	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.674	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.817	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.944	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.096	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.345	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.693	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.668	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.841	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.509	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.898	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	2.434	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	2.454	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	3.378	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	3.935	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	4.201	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.693	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	None	uM		TRA	-	GI(Protien) :

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