Tan Lab | DSigDB

Gene Set: D4 : TTD - Gestrinone

Collection

D4 : TTD

Chemical Name

Gestrinone ( From PubChem : GESTRINONE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
308.414 g/mol	1	2	3.7228	True

Structure

InChI

InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1

InChIKey

BJJXHLWLUDYTGC-ANULTFPQSA-N

Links

Gene (6 / 15)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Drug(s)			ESR1		Successful target
PubChem	Ratio Potency (uM)	uM	0.003	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.030	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.153	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.042	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.213	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.268	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	19.570	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	23.710	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	33.489	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM		NR1H4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.379	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	9.441	TDP1	-	GI(Protien) :
PubChem	Potency	uM	13.336	TDP1	-	GI(Protien) :

Download gene sets

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