Tan Lab | DSigDB

Gene Set: D4 : TTD - SCOPOLETIN

Collection

D4 : TTD

Chemical Name

SCOPOLETIN ( From PubChem : SCOPOLETIN )

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
192.168 g/mol	1	4	1.5072	True

Structure

InChI

InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3

InChIKey

Links

Gene (15 / 23)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ALOX15		Research target
TTD	Inhibitor			ALOX15B		Research target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	AC50_uM	uM	5.790	ERAP1	-	GI(Protien) :
PubChem	None	uM		ERAP1	-	GI(Protien) :
PubChem	AbsAC200_uM	uM	0.678	ERAP2	-	GI(Protien) :
PubChem	AC50_uM	uM	4.403	GFER	-	GI(Protien) :
PubChem	None	uM		GFER	-	GI(Protien) :
PubChem	Potency	uM	14.581	GMNN	-	GI(Protien) :
PubChem	None	uM		GNAI1	-	GI(Protien) :
PubChem	Potency	uM	31.623	KAT2A	-	GI(Protien) :
PubChem	None	uM		KLK7	-	GI(Protien) :
PubChem	None	uM		KLK7	-	GI(Protien) :
PubChem	None	uM		NOD2	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	None	uM		RGS12	-	GI(Protien) :
PubChem	None	uM		RIPK2	-	GI(Protien) :
ChEMBL	AC50	nM	4403.000	GFER	-	Target : CHEMBL1741189
ChEMBL	Potency	nM	6309.600	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	3162.300	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	5011.900	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	12589.300	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	31622.800	KAT2A	-	Target : CHEMBL5501

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