Tan Lab | DSigDB

Gene Set: D4 : CTD - Ethoxyquin

Collection

D4 : CTD

Chemical Name

Ethoxyquin ( From PubChem : ETHOXYQUIN )

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
217.307 g/mol	1	2	3.8307	True

Structure

InChI

InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3

InChIKey

DECIPOUIJURFOJ-UHFFFAOYSA-N

Links

Gene (21 / 52)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(expression)			AKR1B10		D005015
CTD	increases(reaction)			AKR1B10		D005015
CTD	decreases(reaction)			AR		D005015
CTD	increases(activity)			AR		D005015
CTD	decreases(reaction)			AR		D005015
CTD	increases(expression)			AR		D005015
CTD	increases(expression)			NFE2L2		D005015
CTD	increases(reaction)			NFE2L2		D005015
CTD	affects(binding)			NR1I2		D005015
CTD	increases(activity)			NR1I2		D005015
PubChem	AhR Potency (uM)	uM	10.263	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	30.482	AHR	-	GI(Protien) :
PubChem	Potency	uM	25.119	ALOX15	-	GI(Protien) :
PubChem	Potency	uM	50.119	BAZ2B	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.050	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	1.995	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	2.512	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	8.912	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	1.259	HIF1A	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM		HSPB1	-	GI(Protien) :
PubChem	Potency	uM	27.306	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	61.131	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	17.593	PPARG	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.314	PPARG	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	28.613	PPARG	-	GI(Protien) :
PubChem	Potency	uM	13.336	TDP1	-	GI(Protien) :
PubChem	None	uM		TDP2	-	GI(Protien) :
PubChem	Potency	uM	44.668	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	25118.900	ALOX15	-	Target : CHEMBL2903
ChEMBL	Potency	nM	10000.000	ALOX15B	-	Target : CHEMBL2457
ChEMBL	Potency	nM	12589.300	ALOX15B	-	Target : CHEMBL2457
ChEMBL	Potency	nM	50118.700	BAZ2B	-	Target : CHEMBL1741220
ChEMBL	AC50	nM	5011.870	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	50.100	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	50.120	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	1995.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	1995.260	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	2511.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	2511.890	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	15848.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	8912.500	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	1258.900	HIF1A	-	Target : CHEMBL4261
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	12589.300	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	19952.600	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	15848.900	HSD17B10	-	Target : CHEMBL4159

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