Tan Lab | DSigDB

Gene Set: D4 : TTD - LY367265

Collection

D4 : TTD

Chemical Name

LY367265 ( From PubChem : LY-367,265 )

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
452.544 g/mol	1	5	5.0624	False(3/4)

Structure

InChI

InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2

InChIKey

BJIPVHLRWSDKOS-UHFFFAOYSA-N

Links

Gene (24 / 47)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			HTR2A		Successful target
TTD	Drug(s)			HTR2A		Successful target
TTD	Inhibitor			SLC6A2		Successful target
TTD	Drug(s)			SLC6A2		Successful target
TTD	Inhibitor			SLC6A4		Clinical trial target
TTD	Drug(s)			SLC6A4		Clinical trial target
PubChem	Potency	uM	25.119	ALDH1A1	-	GI(Protien) :
PubChem	None	uM		APAF1	-	GI(Protien) :
PubChem	Potency	uM	39.811	CBX1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	6.310	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.200	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	None	uM		DRD2	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Potency	uM	29.935	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	44.668	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	14.125	GMNN	-	GI(Protien) :
PubChem	Potency	uM	12.995	IDH1	-	GI(Protien) :
PubChem	None	uM		IL1B	-	GI(Protien) :
PubChem	Potency	uM	7.080	KCNH2		GI(Protien) :
PubChem	Potency	uM	7.080	KCNH2		GI(Protien) :
PubChem	Potency	uM	23.109	NFE2L2	-	GI(Protien) :
PubChem	None	uM		PAX8	-	GI(Protien) :
PubChem	Potency	uM	9.200	TDP1	-	GI(Protien) :
PubChem	Potency	uM	16.360	TDP1	-	GI(Protien) :
PubChem	None	uM		TRHR	-	GI(Protien) :
ChEMBL	Potency	nM	25118.900	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	39810.700	CBX1	-	Target : CHEMBL1741193
ChEMBL	AC50	nM	3981.070	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	6309.600	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	6309.570	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	199.530	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	199.500	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	5011.870	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	5011.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	44668.400	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	29934.900	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	14125.400	GMNN	-	Target : CHEMBL1293278
ChEMBL	Potency	nM	15848.900	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	8912.500	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	23109.300	NFE2L2	-	Target : CHEMBL1075094

Download gene sets

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