Tan Lab | DSigDB

Gene Set: D4 : TTD - Amiodarone

Collection

D4 : TTD

Chemical Name

Amiodarone ( From PubChem : AMIODARONE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
645.312 g/mol	0	4	6.9362	False(2/4)

Structure

InChI

InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3

InChIKey

IYIKLHRQXLHMJQ-UHFFFAOYSA-N

Links

Gene (9 / 17)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Drug(s)			KCNH2		Successful target
TTD	Blocker			KCNH2		Successful target
PubChem	Potency	uM	44.668	CBX1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	31.623	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	12.995	GMNN	-	GI(Protien) :
PubChem	Potency	uM	20.596	GMNN	-	GI(Protien) :
PubChem	Potency	uM	13.092	MTOR	-	GI(Protien) :
ChEMBL	Potency	nM	44668.400	CBX1	-	Target : CHEMBL1741193
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	31622.800	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	31622.800	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	13091.800	MTOR	-	Target : CHEMBL2842
ChEMBL	IC50	-		SQLE	-	Target : CHEMBL3592

Download gene sets

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