Tan Lab | DSigDB

Gene Set: D4 : CTD - drospirenone

Collection

D4 : CTD

Chemical Name

drospirenone ( From PubChem : DROSPIRENONE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
366.493 g/mol	0	3	4.3059	True

Structure

InChI

InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1

InChIKey

METQSPRSQINEEU-HXCATZOESA-N

Links

Gene (10 / 19)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(activity)			ABCB11		C035144
CTD	affects(cotreatment)			CYP17A1		C035144
CTD	decreases(activity)			CYP17A1		C035144
CTD	affects(cotreatment)			HSPD1		C035144
CTD	increases(expression)			HSPD1		C035144
CTD	affects(cotreatment)			NOS2		C035144
CTD	decreases(expression)			NOS2		C035144
CTD	affects(binding)			PGR		C035144
CTD	affects(cotreatment)			SERPINA6		C035144
CTD	increases(expression)			SERPINA6		C035144
CTD	affects(cotreatment)			SHBG		C035144
CTD	increases(expression)			SHBG		C035144
PubChem	Ratio Potency (uM)	uM	0.030	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	3.223	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	4.216	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	26.832	AR	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	7.499	TDP1	-	GI(Protien) :
PubChem	Potency	uM	8.414	TDP1	-	GI(Protien) :

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