Tan Lab | DSigDB

Gene Set: D4 : CTD - quetiapine

Collection

D4 : CTD

Chemical Name

quetiapine ( From PubChem : QUETIAPINE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
383.507 g/mol	1	6	2.1674	True

Structure

InChI

InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2

InChIKey

Links

Gene (15 / 30)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(activity)			ABCB1		C069541
CTD	decreases(reaction)			ABCG2		C069541
CTD	increases(transport)			ABCG2		C069541
CTD	affects(metabolic processing)			CYP3A		C069541
CTD	decreases(abundance)			CYP3A4		C069541
CTD	increases(metabolic processing)			CYP3A4		C069541
CTD	increases(reaction)			CYP3A4		C069541
CTD	decreases(reaction)			CYP3A4		C069541
CTD	affects(binding)			HTR2A		C069541
CTD	decreases(reaction)			HTR2A		C069541
CTD	decreases(reaction)			KCNH2		C069541
CTD	increases(transport)			KCNH2		C069541
CTD	decreases(expression)			PRL		C069541
CTD	increases(secretion)			PRL		C069541
PubChem	None	uM		CHRM4	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP3A4	-	GI(Protien) :
PubChem	None	uM		DRD2	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	None	uM		HTR1A		GI(Protien) :
PubChem	None	uM		HTR1A		GI(Protien) :
PubChem	None	uM		HTR1D		GI(Protien) :
PubChem	None	uM		HTR1E		GI(Protien) :
PubChem	None	uM		HTR1F		GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	Potency	uM	18.837	TDP1	-	GI(Protien) :
PubChem	Potency	uM	23.715	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	12589.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Activity	-		DRD2	-	Target : CHEMBL217

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