Tan Lab | DSigDB

Gene Set: D4 : CTD - heptylparaben

Collection

D4 : CTD

Chemical Name

heptylparaben ( From PubChem : HEPTYL 4-HYDROXYBENZOATE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
236.307 g/mol	1	3	3.5194	True

Structure

InChI

InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3

InChIKey

Links

Gene (5 / 16)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(binding)			ESR1		C481602
CTD	increases(activity)			ESR1		C481602
CTD	affects(binding)			ESR2		C481602
CTD	increases(activity)			ESR2		C481602
PubChem	Potency-Replicate_1	uM	1.951	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	43.277	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	15.371	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	19.331	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	38.905	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.948	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.948	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.995	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	55.022	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	59.331	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	43.647	PPARG	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :

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