Tan Lab | DSigDB

Gene Set: D4 : TTD - Benzyl-(2-pyridin-3-yl-quinazolin-4-yl)-amine

Collection

D4 : TTD

Chemical Name

Benzyl-(2-pyridin-3-yl-quinazolin-4-yl)-amine ( From PubChem : CHEMBL119841 )

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
312.368 g/mol	1	4	4.3769	True

Structure

InChI

InChI=1S/C20H16N4/c1-2-7-15(8-3-1)13-22-20-17-10-4-5-11-18(17)23-19(24-20)16-9-6-12-21-14-16/h1-12,14H,13H2,(H,22,23,24)

InChIKey

Links

Gene (10 / 27)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			PDE2A		Research target
TTD	Inhibitor			PDE4A		Successful target
TTD	Inhibitor			PDE4B		Research target
PubChem	Potency	uM	5.012	CLK4	-	GI(Protien) :
PubChem	Potency	uM	7.080	CLK4	-	GI(Protien) :
PubChem	Potency	uM	11.220	CLK4	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	1.585	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	None	uM		RGS4	-	GI(Protien) :
PubChem	None	uM		RGS4	-	GI(Protien) :
PubChem	Potency	uM	17.783	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	7079.500	CLK4	-	Target : CHEMBL4203
ChEMBL	Potency	nM	11220.200	CLK4	-	Target : CHEMBL4203
ChEMBL	Potency	nM	5011.900	CLK4	-	Target : CHEMBL4203
ChEMBL	AC50	nM	398.110	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	15848.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	15848.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	15848.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	15848.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	1584.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	1584.890	CYP3A4	-	Target : CHEMBL340

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