Tan Lab | DSigDB

Gene Set: D4 : TTD - EPICATECHIN

Collection

D4 : TTD

Chemical Name

EPICATECHIN ( From PubChem : (-)-EPICATECHIN )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Not	Not	Not	Not	Not	Not	Approved	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
290.268 g/mol	5	6	1.5461	True

Structure

InChI

InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1

InChIKey

Links

Gene (13 / 19)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			PTGS1		Successful target
PubChem	IC50_Mean	uM	0.407	ALPL	-	GI(Protien) :
PubChem	EC50_Mean	uM	51.300	ALPPL2	-	GI(Protien) :
PubChem	Potency	uM	3.162	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	10.000	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	10.000	GAA	-	GI(Protien) :
PubChem	None	uM		GFER	-	GI(Protien) :
PubChem	None	uM		GSTO1	-	GI(Protien) :
PubChem	Potency	uM	89.125	POLI	-	GI(Protien) :
PubChem	Potency	uM	89.125	POLK	-	GI(Protien) :
PubChem	IC50	uM	205.620	RACGAP1	-	GI(Protien) :
ChEMBL	Activity	-		ALB	-	Target : CHEMBL3253
ChEMBL	IC50	nM	407.000	ALPL	-	Target : CHEMBL5979
ChEMBL	EC50	nM	51300.000	ALPPL2	-	Target : CHEMBL3402
ChEMBL	Potency	nM	3162.300	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	10000.000	EHMT2	-	Target : CHEMBL6032
ChEMBL	Inhibition	-		F2	-	Target : CHEMBL204
ChEMBL	Potency	nM	10000.000	GAA	-	Target : CHEMBL2608
ChEMBL	Potency	nM	11220.200	KDM4E	-	Target : CHEMBL1293226

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