Tan Lab | DSigDB

Gene Set: D1 - Approved - VORICONAZOLE

Collection

D1 : Approved

Chemical Name

VORICONAZOLE

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
349.31 g/mol	1	6	2.1769	True

Structure

InChI

InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1

InChIKey

Links

Gene (4 / 19)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
PubChem	Ki	uM	0.340	CYP2B6		GI(Protien) :
PubChem	Ki	uM	0.400	CYP2B6		GI(Protien) :
PubChem	IC50	uM	0.790	CYP2B6		GI(Protien) :
PubChem	IC50	uM	1.190	CYP2B6		GI(Protien) :
PubChem	IC50	uM	1.710	CYP2B6		GI(Protien) :
PubChem	IC50	uM	1.900	CYP2B6		GI(Protien) :
PubChem	IC50	uM	3.700	CYP2B6		GI(Protien) :
PubChem	IC50	uM	12.200	CYP2B6		GI(Protien) :
PubChem	IC50	uM	17.500	CYP2B6		GI(Protien) :
PubChem		uM		CYP2B6		GI(Protien) :
PubChem	Ki	uM	5.100	CYP2C19		GI(Protien) :
PubChem	IC50	uM	5.250	CYP2C19		GI(Protien) :
PubChem	Ki	uM	2.800	CYP2C9		GI(Protien) :
PubChem	IC50	uM	3.620	CYP2C9		GI(Protien) :
PubChem		uM		RELA		GI(Protien) :
PubChem		uM		RELA		GI(Protien) :
ChEMBL	Inhibition	-		CYP2B6	-	Target : CHEMBL4729
ChEMBL	Activity	-		RELA	-	Target : CHEMBL5533
ChEMBL	Activity	-		RELA	-	Target : CHEMBL5533

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