Tan Lab | DSigDB

Gene Set: D4 : CTD - 4'-methoxyflavone

Collection

D4 : CTD

Chemical Name

4'-methoxyflavone ( From PubChem : 4'-METHOXYFLAVONE )

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
252.265 g/mol	0	3	3.4686	True

Structure

InChI

InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3

InChIKey

Links

Gene (15 / 30)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(activity)			CYP1A1		C487850
CTD	increases(expression)			CYP1A1		C487850
CTD	decreases(activity)			CYP1A2		C487850
CTD	affects(binding)			CYP1B1		C487850
CTD	decreases(activity)			CYP1B1		C487850
CTD	decreases(reaction)			CYP2C9		C487850
CTD	increases(hydroxylation)			CYP2C9		C487850
CTD	affects(binding)			CYP3A4		C487850
CTD	decreases(activity)			CYP3A4		C487850
PubChem	Potency	uM	20.588	ATAD5	-	GI(Protien) :
PubChem	Potency	uM	1.995	CYP3A4	-	GI(Protien) :
PubChem	None	uM		HCRTR1	-	GI(Protien) :
PubChem	None	uM		KLK7	-	GI(Protien) :
PubChem	IC50_Mean	uM	5.400	NLRP3	-	GI(Protien) :
PubChem	IC50_Mean	uM	31.000	NLRP3	-	GI(Protien) :
PubChem	None	uM		NLRP3	-	GI(Protien) :
PubChem	None	uM		NLRP3	-	GI(Protien) :
PubChem	None	uM		NLRP3	-	GI(Protien) :
PubChem	Potency	uM	2.512	NPC1	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	Potency	uM	1.995	RAB9A	-	GI(Protien) :
PubChem	Potency	uM	10.000	SMN2	-	GI(Protien) :
ChEMBL	Potency	nM	20587.800	ATAD5	-	Target : CHEMBL1741209
ChEMBL	Potency	nM	1995.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	1000.000	HSD17B10	-	Target : CHEMBL4159
ChEMBL	IC50	nM	31000.000	NLRP3	-	Target : CHEMBL1741208
ChEMBL	IC50	nM	5400.000	NLRP3	-	Target : CHEMBL1741208
ChEMBL	Potency	nM	2511.900	NPC1	-	Target : CHEMBL1293277
ChEMBL	Potency	nM	1995.300	RAB9A	-	Target : CHEMBL1293294
ChEMBL	Potency	nM	10000.000	SMN1; SMN2	-	Target : CHEMBL1293232

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