Tan Lab | DSigDB

Gene Set: D4 : TTD - Quinestrol

Collection

D4 : TTD

Chemical Name

Quinestrol ( From PubChem : QUINESTROL )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
364.52 g/mol	1	2	5.2284	False(3/4)

Structure

InChI

InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1

InChIKey

PWZUUYSISTUNDW-VAFBSOEGSA-N

Links

Gene (10 / 18)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Modulator			ESR1		Successful target
TTD	Drug(s)			ESR1		Successful target
PubChem	Ratio Potency (uM)	uM	7.278	AR	-	GI(Protien) :
PubChem	Potency	uM	31.623	ATXN2	-	GI(Protien) :
PubChem	AC50_uM	uM	3.310	CFTR	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.067	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.674	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.293	ESR1	-	GI(Protien) :
PubChem	Potency	uM	13.336	GMNN	-	GI(Protien) :
PubChem	Potency	uM	16.360	IDH1	-	GI(Protien) :
PubChem	None	uM		ITGA4	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	None	uM		PAFAH2	-	GI(Protien) :
PubChem	None	uM		PAFAH2	-	GI(Protien) :
PubChem	Potency	uM	8.200	TDP1	-	GI(Protien) :
PubChem	Potency	uM	9.200	TDP1	-	GI(Protien) :
PubChem	Potency	uM	13.336	TDP1	-	GI(Protien) :

Download gene sets

gmt, text, Detailed text