Tan Lab | DSigDB

Gene Set: D4 : TTD - Hesperetin

Collection

D4 : TTD

Chemical Name

Hesperetin ( From PubChem : HESPERETIN )

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
302.279 g/mol	3	6	2.5185	True

Structure

InChI

InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1

InChIKey

Links

Gene (9 / 24)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			DGAT1		Successful target
TTD	Drug(s)			DGAT1		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	5.012	HIF1A	-	GI(Protien) :
ChEMBL	AC50	nM	3162.280	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	7943.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	5011.870	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	5011.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	10000.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	10000.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	15848.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	5011.900	HIF1A	-	Target : CHEMBL4261
ChEMBL	Activity	-		NR1H3	-	Target : CHEMBL2808
ChEMBL	Activity	-		NR1H3	-	Target : CHEMBL2808
ChEMBL	Activity	-		NR1H3	-	Target : CHEMBL2808
ChEMBL	Activity	-		PPARG	-	Target : CHEMBL235
ChEMBL	Activity	-		TGFBR2	-	Target : CHEMBL4267

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