Tan Lab | DSigDB

Gene Set: D4 : TTD - LE 300

Collection

D4 : TTD

Chemical Name

LE 300 ( From PubChem : LE 300 )

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
290.402 g/mol	1	1	3.727	True

Structure

InChI

InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3

InChIKey

Links

Gene (11 / 35)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			DRD1		Successful target
TTD	Inhibitor			DRD3		Successful target
TTD	Antagonist			DRD5		Successful target
TTD	Inhibitor			DRD5		Successful target
TTD	Drug(s)			DRD5		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	0.501	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	0.355	DRD1	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	None	uM		DRD2	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Potency	uM	8.912	GLS	-	GI(Protien) :
PubChem	Potency	uM	8.912	KCNH2		GI(Protien) :
PubChem	Potency	uM	8.912	KCNH2		GI(Protien) :
PubChem	Potency	uM	50.119	MPHOSPH8	-	GI(Protien) :
ChEMBL	AC50	nM	31622.800	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	3981.070	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	3981.100	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	5011.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	10000.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	10000.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	501.200	CYP2D6	-	Target : CHEMBL289
ChEMBL	Activity	-		DRD1	-	Target : CHEMBL2056
ChEMBL	Activity	-		DRD1	-	Target : CHEMBL2056
ChEMBL	Potency	nM	354.800	DRD1	-	Target : CHEMBL2056
ChEMBL	Activity	-		DRD2	-	Target : CHEMBL217
ChEMBL	Activity	-		DRD2	-	Target : CHEMBL217
ChEMBL	Activity	-		DRD5	-	Target : CHEMBL1850
ChEMBL	Potency	nM	50118.700	MPHOSPH8	-	Target : CHEMBL1741210

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