Tan Lab | DSigDB

Gene Set: D1 - Approved - DOFETILIDE

Collection

D1 : Approved

Chemical Name

DOFETILIDE

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
441.565 g/mol	2	8	4.2905	True

Structure

InChI

InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3

InChIKey

Links

Gene (9 / 28)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem	Potency	uM	21.132	AR	-	GI(Protien) :
PubChem		uM		CYP1A2		GI(Protien) :
PubChem		uM		CYP2C19		GI(Protien) :
PubChem		uM		CYP2C9		GI(Protien) :
PubChem		uM		CYP2D6		GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem	IC50	uM	0.004	KCNH2		GI(Protien) :
PubChem	Ki	uM	0.006	KCNH2		GI(Protien) :
PubChem	Ki	uM	0.008	KCNH2		GI(Protien) :
PubChem	IC50	uM	0.009	KCNH2		GI(Protien) :
PubChem	IC50	uM	0.010	KCNH2		GI(Protien) :
PubChem	IC50	uM	0.010	KCNH2		GI(Protien) :
PubChem	IC50	uM	0.010	KCNH2		GI(Protien) :
PubChem	IC50	uM	0.012	KCNH2		GI(Protien) :
PubChem	IC50	uM	0.015	KCNH2		GI(Protien) :
PubChem	IC50	uM	0.049	KCNH2		GI(Protien) :
PubChem		uM		KCNH2	-	GI(Protien) :
PubChem		uM		KCNH2		GI(Protien) :
PubChem		uM		MCL1	-	GI(Protien) :
PubChem	Potency	uM	7.562	NR3C1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	10.280	NR3C1	-	GI(Protien) :
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340

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