Tan Lab | DSigDB

Gene Set: D1 - Approved - GUANFACINE

Collection

D1 : Approved

Chemical Name

GUANFACINE

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
246.093 g/mol	2	4	2.7365	True

Structure

InChI

InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)

InChIKey

Links

Gene (11 / 20)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem	IC50	uM	0.134	ADRA2A	-	GI(Protien) :
PubChem	IC50	uM	0.249	ADRA2B	-	GI(Protien) :
PubChem	IC50	uM	6.447	ADRA2C	-	GI(Protien) :
PubChem	Potency	uM	0.251	CYP2C19	-	GI(Protien) :
PubChem		uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.126	CYP2D6	-	GI(Protien) :
PubChem		uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP3A4	-	GI(Protien) :
PubChem		uM		CYP3A4	-	GI(Protien) :
PubChem	IC50	uM	3.014	HTR2A	-	GI(Protien) :
PubChem	IC50	uM	2.098	HTR2B	-	GI(Protien) :
PubChem	IC50	uM	1.453	HTR2C	-	GI(Protien) :
PubChem	Ki	uM	0.019	NISCH		GI(Protien) :
ChEMBL	Potency	nM	251.200	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	251.190	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	125.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	125.890	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	12589.200	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	12589.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	12589.300	EHMT2	-	Target : CHEMBL6032

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