Tan Lab | DSigDB

Gene Set: D4 : CTD - 4,4'-cyclohexylidenebisphenol

Collection

D4 : CTD

Chemical Name

4,4'-cyclohexylidenebisphenol ( From PubChem : 1,1-BIS(4-HYDROXYPHENYL)CYCLOHEXANE )

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
268.35 g/mol	2	2	4.348	True

Structure

InChI

InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2

InChIKey

Links

Gene (16 / 28)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(glutathionylation)			CYP1A2		C570106
CTD	increases(hydroxylation)			CYP1A2		C570106
CTD	increases(glutathionylation)			CYP2C19		C570106
CTD	increases(hydroxylation)			CYP2C19		C570106
CTD	increases(glutathionylation)			CYP2C8		C570106
CTD	increases(hydroxylation)			CYP2C8		C570106
CTD	increases(glutathionylation)			CYP2C9		C570106
CTD	increases(hydroxylation)			CYP2C9		C570106
CTD	increases(glutathionylation)			CYP2E1		C570106
CTD	increases(hydroxylation)			CYP2E1		C570106
CTD	increases(glutathionylation)			CYP3A4		C570106
CTD	increases(hydroxylation)			CYP3A4		C570106
CTD	affects(binding)			NR1I2		C517113
CTD	increases(activity)			NR1I2		C517113
CTD	affects(binding)			NR1I3		C517113
CTD	increases(activity)			NR1I3		C517113
PubChem	Ratio Potency (uM)	uM	13.074	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	51.614	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.520	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.818	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	4.296	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	6.813	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	52.050	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	54.086	HSPB1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	11.555	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	46.390	PPARD	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :

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