Tan Lab | DSigDB

Gene Set: D4 : TTD - GW-9662

Collection

D4 : TTD

Chemical Name

GW-9662 ( From PubChem : GW9662 )

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
276.675 g/mol	1	2	4.0967	True

Structure

InChI

InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)

InChIKey

Links

Gene (15 / 36)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			PPARG		Research target
TTD	Inhibitor			PPARG		Successful target
TTD	Inhibitor			RXRA		Research target
PubChem	Potency	uM	14.125	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	19.331	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.483	AHR	-	GI(Protien) :
PubChem	None	uM		AHR	-	GI(Protien) :
PubChem	None	uM		AHR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	21.049	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	24.541	AR	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.794	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	6.310	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	None	uM		NCF1	-	GI(Protien) :
PubChem	Potency	uM	1.220	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	1.458	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	3.064	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	7.696	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	14.777	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NR1I2	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	None	uM		PPARD	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	28.184	TDP1	-	GI(Protien) :
PubChem	Potency	uM	29.855	TDP1	-	GI(Protien) :
PubChem	Potency	uM	1.585	THPO	-	GI(Protien) :
ChEMBL	AC50	nM	630.960	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	794.330	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	794.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	6309.570	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	6309.600	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	1584.900	THPO	-	Target : CHEMBL1293256

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