Tan Lab | DSigDB

Gene Set: D1 - Approved - QUINESTROL

Collection

D1 : Approved

Chemical Name

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 (11 / 23)

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Source	Type	Unit	Value	Gene	PMID	Other
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		uM		CFTR	-	GI(Protien) :
PubChem	Potency	uM	0.067	ESR1	-	GI(Protien) :
PubChem	Potency	uM	0.674	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.293	ESR1	-	GI(Protien) :
PubChem		uM		ESR1		GI(Protien) :
PubChem		uM		ESR1		GI(Protien) :
PubChem		uM		ESR2		GI(Protien) :
PubChem		uM		ESR2		GI(Protien) :
PubChem	Potency	uM	13.336	GMNN	-	GI(Protien) :
PubChem	Potency	uM	16.360	IDH1	-	GI(Protien) :
PubChem		uM		ITGA4	-	GI(Protien) :
PubChem		uM		NR3C1	-	GI(Protien) :
PubChem		uM		PAFAH2	-	GI(Protien) :
PubChem		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) :
ChEMBL	Potency	nM	31622.800	ATXN2	-	Target : CHEMBL1795085
ChEMBL	Potency	nM	13335.900	GMNN	-	Target : CHEMBL1293278
ChEMBL	Potency	nM	16360.100	IDH1	-	Target : CHEMBL2007625

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