Tan Lab | DSigDB

Gene Set: D4 : Boss - ketanserinum

Collection

D4 : Boss

Chemical Name

ketanserinum ( From PubChem : KETANSERIN )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
395.427 g/mol	1	5	2.3617	True

Structure

InChI

InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)

InChIKey

FPCCSQOGAWCVBH-UHFFFAOYSA-N

Links

Gene (23 / 47)

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Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			BDNF-AS
BOSS	Text Mining			CD52
BOSS	Text Mining			DDR2
BOSS	Text Mining			HTR2A
BOSS	Text Mining			HTR2B
BOSS	Text Mining			HTR2C
BOSS	Text Mining			HTR3A
BOSS	Text Mining			HTR4
BOSS	Text Mining			HTT
BOSS	Text Mining			MAOB
BOSS	Text Mining			P2RY2
BOSS	Text Mining			SLC6A3
PubChem	Potency	uM	2.512	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	5.623	DRD1	-	GI(Protien) :
PubChem	Potency	uM	0.794	EHMT2	-	GI(Protien) :
PubChem	None	uM		HTR1A		GI(Protien) :
PubChem	None	uM		HTR1B		GI(Protien) :
PubChem	None	uM		HTR1B		GI(Protien) :
PubChem	None	uM		HTR1D		GI(Protien) :
PubChem	None	uM		HTR1D		GI(Protien) :
PubChem	None	uM		HTR2A	-	GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR2C		GI(Protien) :
PubChem	None	uM		HTR2C		GI(Protien) :
PubChem	None	uM		HTR2C		GI(Protien) :
PubChem	None	uM		HTR2C		GI(Protien) :
PubChem	None	uM		HTR5A		GI(Protien) :
PubChem	None	uM		HTR7		GI(Protien) :
PubChem	None	uM		HTR7		GI(Protien) :
PubChem	None	uM		HTR7		GI(Protien) :
PubChem	None	uM		HTR7		GI(Protien) :
PubChem	None	uM		MAPT	-	GI(Protien) :
ChEMBL	Potency	nM	2511.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	2511.890	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	3981.100	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	3981.070	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	5623.400	DRD1	-	Target : CHEMBL2056
ChEMBL	Potency	nM	794.300	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	7943.300	HPGD	-	Target : CHEMBL1293255
ChEMBL	Inhibition	-		HTR7	-	Target : CHEMBL3155

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