Tan Lab | DSigDB

Gene Set: D4 : CTD - Buspirone

Collection

D4 : CTD

Chemical Name

Buspirone ( From PubChem : BUSPIRONE )

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
385.503 g/mol	0	7	2.029	True

Structure

InChI

InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2

InChIKey

Links

Gene (11 / 25)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(oxidation)			CYP2D6		D002065
CTD	increases(metabolic processing)			CYP3A4		D002065
CTD	increases(oxidation)			CYP3A4		D002065
CTD	decreases(reaction)			CYP3A4		D002065
CTD	increases(oxidation)			CYP3A5		D002065
CTD	affects(activity)			HTR1A		D002065
CTD	affects(binding)			HTR1A		D002065
CTD	increases(expression)			POMC		D002065
CTD	decreases(reaction)			POMC		D002065
CTD	increases(expression)			PRL		D002065
CTD	increases(secretion)			PRL		D002065
CTD	decreases(reaction)			PRL		D002065
CTD	decreases(reaction)			SLC22A2		D002065
CTD	increases(uptake)			SLC22A2		D002065
PubChem	Potency	uM	4.467	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	12.589	EHMT2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	30.638	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	38.571	ESR1	-	GI(Protien) :
PubChem	None	uM		HTR1A		GI(Protien) :
PubChem	None	uM		HTR1A		GI(Protien) :
PubChem	None	uM		HTR1A		GI(Protien) :
PubChem	Potency-Replicate_1	uM	27.306	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	30.638	NFE2L2	-	GI(Protien) :
ChEMBL	Potency	nM	4466.800	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	12589.300	EHMT2	-	Target : CHEMBL6032

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