Tan Lab | DSigDB

Gene Set: D4 : CTD - Mestranol

Collection

D4 : CTD

Chemical Name

Mestranol ( From PubChem : MESTRANOL )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
310.43 g/mol	1	2	3.9156	True

Structure

InChI

InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1

InChIKey

IMSSROKUHAOUJS-MJCUULBUSA-N

Links

Gene (14 / 26)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(activity)			ESR1		D008656
CTD	affects(binding)			ESR2		D008656
CTD	increases(expression)			F7		D008656
PubChem	Ratio Potency (uM)	uM	1.900	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	3.090	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	3.336	AR	-	GI(Protien) :
PubChem	AC50_uM	uM	2.480	CFTR	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.001	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.002	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.019	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.031	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.050	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.067	ESR1	-	GI(Protien) :
PubChem	None	uM		MAP1LC3A	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	23.708	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	0.237	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.237	TDP1	-	GI(Protien) :
PubChem	Potency	uM	20.596	TDP1	-	GI(Protien) :
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289

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