Tan Lab | DSigDB

Gene Set: D1 - Approved - ITRACONAZOLE

Collection

D1 : Approved

Chemical Name

ITRACONAZOLE

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
705.633 g/mol	0	12	5.7073	False(1/4)

Structure

InChI

InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25-,31+,35+/m1/s1

InChIKey

VHVPQPYKVGDNFY-DFMJLFEVSA-N

Links

Gene (10 / 24)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
PubChem	IC50	uM	0.800	AVPR2		GI(Protien) :
PubChem	IC50	uM	6.000	AVPR2		GI(Protien) :
PubChem	IC50	uM	11.900	AVPR2		GI(Protien) :
PubChem		uM		AVPR2		GI(Protien) :
PubChem		uM		AVPR2		GI(Protien) :
PubChem	IC50	uM	0.200	CCR4		GI(Protien) :
PubChem	IC50	uM	0.500	CCR4		GI(Protien) :
PubChem	IC50	uM	7.200	CCR4		GI(Protien) :
PubChem	IC50	uM	11.400	CCR4		GI(Protien) :
PubChem	IC50	uM	0.100	CXCR1		GI(Protien) :
PubChem	IC50	uM	5.000	CXCR1		GI(Protien) :
PubChem	IC50	uM	20.800	CXCR1		GI(Protien) :
PubChem	IC50	uM	0.900	CYP3A4	-	GI(Protien) :
PubChem	IC50	uM	3.600	CYP51A1		GI(Protien) :
PubChem	ER Potency (uM)	uM	3.349	ESR1	-	GI(Protien) :
PubChem	Potency	uM	13.333	ESR1	-	GI(Protien) :
PubChem	IC50	uM	3.890	FYN	-	GI(Protien) :
PubChem		uM		KDR		GI(Protien) :
PubChem	Ratio Potency (uM)	uM	2.818	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	8.412	NR1H4	-	GI(Protien) :
PubChem		uM		NR1H4	-	GI(Protien) :
ChEMBL	Inhibition	-		AVPR2	-	Target : CHEMBL1790
ChEMBL	Inhibition	-		AVPR2	-	Target : CHEMBL1790
ChEMBL	Inhibition	-		KDR	-	Target : CHEMBL279

Download gene sets

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