Tan Lab | DSigDB

Gene Set: D4 : CTD - bufuralol

Collection

D4 : CTD

Chemical Name

bufuralol ( From PubChem : BUFURALOL )

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
261.359 g/mol	2	3	3.8076	True

Structure

InChI

InChI=1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3/t13-/m0/s1

InChIKey

Links

Gene (6 / 20)

⊖ Less

Source	Type	Unit	Gene	PMID	Other
CTD	increases(hydroxylation)		CYP1A2		C010831
CTD	increases(hydroxylation)		CYP2C19		C010831
CTD	increases(hydroxylation)		CYP2C8		C010831
CTD	increases(hydroxylation)		CYP2C9		C010831
CTD	decreases(reaction)		CYP2D6		C010831
CTD	increases(hydroxylation)		CYP2D6		C010831
CTD	affects(metabolic processing)		CYP2D6		C010831
CTD	increases(hydrolysis)		CYP2D6		C010831
CTD	increases(hydroxylation)		CYP2D6		C010831
CTD	increases(metabolic processing)		CYP2D6		C010831
CTD	increases(oxidation)		CYP2D6		C010831
CTD	decreases(reaction)		CYP2D6		C010831
CTD	increases(metabolic processing)		CYP2D6		C010831
CTD	decreases(reaction)		CYP2D6		C010831
CTD	decreases(reaction)		CYP2D6		C010831
CTD	decreases(reaction)		CYP2D6		C010831
CTD	increases(metabolic processing)		CYP2D6		C010831
CTD	decreases(reaction)		CYP2D6		C010831
CTD	increases(hydroxylation)		CYP2D6		C010831
ChEMBL	Selectivity	-	ADRB1	-	Target : CHEMBL213

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