Tan Lab | DSigDB

Gene Set: D4 : TTD - QUINIDINE SULFATE

Collection

D4 : TTD

Chemical Name

QUINIDINE SULFATE ( From PubChem : QUINIDINE SULFATE )

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
746.912 g/mol	4	12	6.6502	False(1/4)

Structure

InChI

InChI=1S/2C20H24N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t2*13-,14?,19?,20-;/m00./s1

InChIKey

RONWGALEIBILOG-VDNMKEHLSA-N

Links

Gene (11 / 20)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			CYP2D6		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	Potency	uM	16.360	TDP1	-	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	3.548	KCNH2		GI(Protien) :
PubChem	Potency	uM	3.548	KCNH2		GI(Protien) :
PubChem	Potency	uM	7.943	NPSR1	-	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

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