Tan Lab | DSigDB

Gene Set: D4 : Boss - itraconazole oral solution

Collection

D4 : Boss

Chemical Name

itraconazole oral solution ( From PubChem : 84625-61-6 )

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
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 (27 / 32)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			BBS9
BOSS	Text Mining			CD4
BOSS	Text Mining			CDT1
BOSS	Text Mining			CYGB
BOSS	Text Mining			CYP2B6
BOSS	Text Mining			CYP2C8
BOSS	Text Mining			CYP51A1
BOSS	Text Mining			GYPE
BOSS	Text Mining			HLP
BOSS	Text Mining			IFNG
BOSS	Text Mining			ITS
BOSS	Text Mining			KRIT1
BOSS	Text Mining			LDHA
BOSS	Text Mining			POMC
BOSS	Text Mining			SERPINF2
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	AC50_uM	uM	0.195	HSP90AA1	-	GI(Protien) :
PubChem	Potency	uM	1.413	MAPT	-	GI(Protien) :
PubChem	Potency	uM	2.311	TDP1	-	GI(Protien) :
PubChem	Potency	uM	2.593	TDP1	-	GI(Protien) :
PubChem	None	uM		TNNC1	-	GI(Protien) :
PubChem	None	uM		TNNI3	-	GI(Protien) :
PubChem	None	uM		TNNT2	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	3.349	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.333	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	2.818	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	8.412	NR1H4	-	GI(Protien) :
PubChem	None	uM		NR1H4	-	GI(Protien) :
ChEMBL	Potency	nM	1412.500	MAPT	-	Target : CHEMBL1293224
ChEMBL	Inhibition	-		AVPR2	-	Target : CHEMBL1790
ChEMBL	Inhibition	-		AVPR2	-	Target : CHEMBL1790
ChEMBL	Inhibition	-		KDR	-	Target : CHEMBL279

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