Tan Lab | DSigDB

Gene Set: D4 : CTD - Amoxapine

Collection

D4 : CTD

Chemical Name

Amoxapine ( From PubChem : AMOXAPINE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
313.781 g/mol	1	4	3.1315	True

Structure

InChI

InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2

InChIKey

Links

Gene (18 / 30)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(chemical synthesis)			CYP3A4		D000657
CTD	increases(expression)			PRL		D000657
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	17.229	CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	1.259	DRD1	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	None	uM		DRD2	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	11.883	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	20.336	ESR1	-	GI(Protien) :
PubChem	None	uM		HTR6		GI(Protien) :
PubChem	None	uM		HTT	-	GI(Protien) :
PubChem	Potency	uM	10.000	KCNH2		GI(Protien) :
PubChem	Potency	uM	10.000	KCNH2		GI(Protien) :
PubChem	Potency-Replicate_1	uM	18.996	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	7.308	TDP1	-	GI(Protien) :
PubChem	Potency	uM	14.581	TDP1	-	GI(Protien) :
PubChem	Potency	uM	10.000	THPO	-	GI(Protien) :
PubChem	Potency	uM	12.589	TP53	-	GI(Protien) :
PubChem	Potency	uM	50.119	VDR	-	GI(Protien) :
ChEMBL	AC50	nM	3981.070	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	3981.100	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	1258.900	DRD1	-	Target : CHEMBL2056
ChEMBL	Potency	nM	10000.000	THPO	-	Target : CHEMBL1293256
ChEMBL	Potency	nM	12589.300	TP53	-	Target : CHEMBL4096

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