Tan Lab | DSigDB

Gene Set: D4 : CTD - butylparaben

Collection

D4 : CTD

Chemical Name

butylparaben ( From PubChem : BUTYL 4-HYDROXYBENZOATE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
194.227 g/mol	1	3	2.3491	True

Structure

InChI

InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3

InChIKey

QFOHBWFCKVYLES-UHFFFAOYSA-N

Links

Gene (23 / 58)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(expression)			ADIPOQ		C038091
CTD	increases(expression)			CCND1		C038091
CTD	increases(expression)			CEBPA		C038091
CTD	decreases(expression)			CYP19A1		C038091
CTD	affects(cotreatment)			CYP1A1		C038091
CTD	increases(expression)			CYP1A1		C038091
CTD	increases(expression)			CYP1B1		C038091
CTD	increases(reaction)			CYP1B1		C038091
CTD	affects(binding)			ESR1		C038091
CTD	increases(activity)			ESR1		C038091
CTD	affects(binding)			ESR1		C038091
CTD	decreases(expression)			ESR1		C038091
CTD	increases(activity)			ESR1		C038091
CTD	decreases(reaction)			ESR1		C038091
CTD	affects(binding)			ESR2		C038091
CTD	increases(activity)			ESR2		C038091
CTD	affects(binding)			ESR2		C038091
CTD	affects(binding)			ESRRG		C038091
CTD	decreases(reaction)			ESRRG		C038091
CTD	increases(expression)			FABP4		C038091
CTD	increases(expression)			FASN		C038091
CTD	increases(expression)			HSPB8		C038091
CTD	decreases(expression)			LEP		C038091
CTD	affects(binding)			NCOA2		C038091
CTD	decreases(reaction)			NCOA2		C038091
CTD	increases(expression)			PGR		C038091
CTD	affects(binding)			PPARG		C038091
CTD	increases(activity)			PPARG		C038091
CTD	increases(expression)			PPARG		C038091
CTD	decreases(reaction)			SLC22A2		C038091
CTD	increases(uptake)			SLC22A2		C038091
CTD	increases(expression)			TFF1		C038091
CTD	decreases(reaction)			TFF1		C038091
CTD	increases(expression)			TFF1		C038091
CTD	increases(expression)			UGT2B15		C038091
PubChem	Ratio Potency (uM)	uM	45.349	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	51.517	AR	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	6.310	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	8.816	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.333	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.853	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	14.801	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	19.331	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	23.915	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	26.806	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	38.895	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	44.186	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	48.978	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	55.627	ESR1	-	GI(Protien) :
PubChem	Potency	uM	30.638	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	49.151	NFE2L2	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
ChEMBL	AC50	nM	79.430	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	6309.600	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	6309.570	CYP2C19	-	Target : CHEMBL3622

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