Tan Lab | DSigDB

Gene Set: D4 : Boss - quetiapine hemifumarate

Collection

D4 : Boss

Chemical Name

quetiapine hemifumarate ( 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 (31 / 40)

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Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			AATF
BOSS	Text Mining			ACHE
BOSS	Text Mining			BDNF-AS
BOSS	Text Mining			CDT1
BOSS	Text Mining			CYGB
BOSS	Text Mining			CYP2C8
BOSS	Text Mining			DDR2
BOSS	Text Mining			FGA
BOSS	Text Mining			HLP
BOSS	Text Mining			HTR2A
BOSS	Text Mining			HTR4
BOSS	Text Mining			INS
BOSS	Text Mining			MAOB
BOSS	Text Mining			NNT
BOSS	Text Mining			POMC
BOSS	Text Mining			PRL
BOSS	Text Mining			TACR2
BOSS	Text Mining			TNFRSF13C
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) :
PubChem	Potency-Replicate_1	uM	33.492	ESR1	-	GI(Protien) :
PubChem	None	uM		ABHD5	-	GI(Protien) :
PubChem	None	uM		CHRM4	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	None	uM		PLIN5	-	GI(Protien) :
ChEMBL	Potency	nM	12589.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Activity	-		DRD2	-	Target : CHEMBL217

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