Tan Lab | DSigDB

Gene Set: D4 : TTD - BOLDINE

Collection

D4 : TTD

Chemical Name

BOLDINE ( From PubChem : BOLDINE )

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
327.374 g/mol	2	5	2.805	True

Structure

InChI

InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1

InChIKey

Links

Gene (16 / 26)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			CHRNA4		Successful target
TTD	Inhibitor			CHRNB2		Discontinued target
TTD	Inhibitor			DRD1		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP2D6	-	GI(Protien) :
PubChem	None	uM		GFER	-	GI(Protien) :
PubChem	Potency	uM	1.995	HIF1A	-	GI(Protien) :
PubChem	None	uM		MAPT	-	GI(Protien) :
PubChem	Potency	uM	25.119	CYP3A4	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	IC50	uM		EIF4H	-	GI(Protien) :
PubChem	None	uM		GFER	-	GI(Protien) :
PubChem	IC50	uM		MPI	-	GI(Protien) :
PubChem	None	uM		NAE1	-	GI(Protien) :
PubChem	IC50	uM		PABPC1	-	GI(Protien) :
PubChem	None	uM		TRA	-	GI(Protien) :
PubChem	None	uM		UBE2M	-	GI(Protien) :
ChEMBL	AC50	nM	2511.890	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	7943.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	1995.300	HIF1A	-	Target : CHEMBL4261
ChEMBL	Potency	nM	12589.300	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	12589.300	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	25118.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159

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