Tan Lab | DSigDB

Gene Set: D4 : TTD - Quinidine

Collection

D4 : TTD

Chemical Name

Quinidine ( From PubChem : QUININE )

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
324.417 g/mol	1	4	3.1111	True

Structure

InChI

InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20-/m1/s1

InChIKey

LOUPRKONTZGTKE-UYVJDWJCSA-N

Links

Gene (13 / 29)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Drug(s)			SCN5A		Successful target
TTD	Blocker			SCN5A		Successful target
PubChem	AhR Potency (uM)	uM	36.516	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.237	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	2.391	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	3.786	ESR1	-	GI(Protien) :
PubChem	Potency	uM	13.336	TDP1	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	23.710	AHR	-	GI(Protien) :
PubChem	Potency	uM	0.063	THRB	-	GI(Protien) :
PubChem	Potency	uM	7.943	KCNH2		GI(Protien) :
PubChem	Potency	uM	7.943	KCNH2		GI(Protien) :
PubChem	Potency-Replicate_1	uM	31.623	NR1I2	-	GI(Protien) :
PubChem	Potency	uM	17.783	ATXN2	-	GI(Protien) :
PubChem	Potency	uM	0.008	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	6.310	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	6.310	CYP2D6	-	GI(Protien) :
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Activity	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Activity	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Activity	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	7.940	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	6309.570	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	7.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	6309.600	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	63.100	THRB	-	Target : CHEMBL1947

Download gene sets

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