Tan Lab | DSigDB

Gene Set: D1 - Approved - DOXEPIN

Collection

D1 : Approved

Chemical Name

DOXEPIN

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
279.376 g/mol	0	2	3.9624	True

Structure

InChI

InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-

InChIKey

Links

Gene (5 / 18)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
PubChem	IC50	uM	6.457	KCNH2		GI(Protien) :
PubChem	Potency	uM	17.783	ALDH1A1	-	GI(Protien) :
PubChem		uM		CYP1A2	-	GI(Protien) :
PubChem		uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	3.162	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP2D6	-	GI(Protien) :
PubChem		uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	2.239	DRD1	-	GI(Protien) :
ChEMBL	Potency	nM	17782.800	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	AC50	nM	15848.900	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	15848.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	3162.280	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	3981.100	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	15848.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	3162.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	3981.070	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	2238.700	DRD1	-	Target : CHEMBL2056

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