Tan Lab | DSigDB

Gene Set: D4 : CTD - bensulide

Collection

D4 : CTD

Chemical Name

bensulide ( From PubChem : BENSULIDE )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Not	Not	Not	Not	Not	Not	Approved	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
397.513 g/mol	1	7	5.8949	False(3/4)

Structure

InChI

InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3

InChIKey

Links

Gene (8 / 16)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(activity)			NR1I2		C001847
PubChem	Potency-Replicate_1	uM	5.448	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	5.771	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	38.895	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	68.590	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	68.590	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	30.638	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	54.483	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.941	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	57.090	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	28.924	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NR1H4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.122	NR1I2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.585	NR1I2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	43.641	PPARG	-	GI(Protien) :
PubChem	Potency	uM	44.668	PPARG	-	GI(Protien) :

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