Tan Lab | DSigDB

Gene Set: D4 : CTD - dioxybenzone

Collection

D4 : CTD

Chemical Name

dioxybenzone ( From PubChem : DIOXYBENZONE )

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
244.243 g/mol	2	4	2.3374	True

Structure

InChI

InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3

InChIKey

Links

Gene (12 / 25)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(binding)			ESR1		C004839
CTD	increases(activity)			ESR1		C004839
CTD	affects(binding)			ESR2		C004839
CTD	increases(activity)			ESR2		C004839
PubChem	AhR Potency (uM)	uM		AHR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	65.806	AR	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.794	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	5.012	HIF1A	-	GI(Protien) :
PubChem	Potency	uM	0.501	HPGD	-	GI(Protien) :
PubChem	Potency	uM	1.000	HPGD	-	GI(Protien) :
PubChem	Potency	uM	2.512	HPGD	-	GI(Protien) :
PubChem	None	uM		TNNC1	-	GI(Protien) :
PubChem	None	uM		TNNI3	-	GI(Protien) :
PubChem	None	uM		TNNT2	-	GI(Protien) :
ChEMBL	AC50	nM	63.100	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	794.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	794.330	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	5011.900	HIF1A	-	Target : CHEMBL4261
ChEMBL	Potency	nM	2511.900	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	1000.000	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	501.200	HPGD	-	Target : CHEMBL1293255

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