Tan Lab | DSigDB

Gene Set: D4 : CTD - 4,4'-(hexafluoroisopropylidene)diphenol

Collection

D4 : CTD

Chemical Name

4,4'-(hexafluoroisopropylidene)diphenol ( From PubChem : BISPHENOL AF )

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
336.229 g/mol	2	2	4.5085	True

Structure

InChI

InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H

InChIKey

Links

Gene (11 / 26)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(hydroxylation)			CYP1A2		C571725
CTD	increases(hydroxylation)			CYP2C19		C571725
CTD	increases(hydroxylation)			CYP2C8		C571725
CTD	increases(hydroxylation)			CYP2C9		C571725
CTD	increases(hydroxylation)			CYP2E1		C571725
CTD	increases(hydroxylation)			CYP3A4		C571725
PubChem	Potency-Replicate_1	uM	6.859	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	9.639	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	24.433	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	34.670	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	49.976	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	61.131	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.206	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.154	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.171	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.373	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.434	ESR1	-	GI(Protien) :
PubChem	Potency	uM	0.501	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.055	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.738	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	18.762	ESR1	-	GI(Protien) :
PubChem	Potency	uM	44.668	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.948	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	61.131	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	63.522	ESR1	-	GI(Protien) :
PubChem	Potency	uM	48.558	NFE2L2	-	GI(Protien) :

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