Tan Lab | DSigDB

Gene Set: D1 - Approved - NILUTAMIDE

Collection

D1 : Approved

Chemical Name

NILUTAMIDE

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
317.221 g/mol	1	4	3.3654	True

Structure

InChI

InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)

InChIKey

XWXYUMMDTVBTOU-UHFFFAOYSA-N

Links

Gene (11 / 55)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem	IC50	uM	0.009	AR		GI(Protien) :
PubChem	IC50	uM	0.009	AR		GI(Protien) :
PubChem	Potency	uM	1.230	AR	-	GI(Protien) :
PubChem	Potency	uM	3.438	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	3.467	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	4.419	AR	-	GI(Protien) :
PubChem	Potency	uM	6.682	AR	-	GI(Protien) :
PubChem	Potency	uM	9.521	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	9.808	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	13.685	AR	-	GI(Protien) :
PubChem		uM		AR		GI(Protien) :
PubChem		uM		AR	-	GI(Protien) :
PubChem	Potency	uM	27.306	CYP19A1	-	GI(Protien) :
PubChem		uM		CYP1A2		GI(Protien) :
PubChem		uM		CYP1A2	-	GI(Protien) :
PubChem		uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.126	CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.251	CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP2C19	-	GI(Protien) :
PubChem		uM		CYP2C19	-	GI(Protien) :
PubChem		uM		CYP2C19		GI(Protien) :
PubChem		uM		CYP2C9		GI(Protien) :
PubChem		uM		CYP2D6		GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem		uM		DRD3	-	GI(Protien) :
PubChem		uM		DRD3	-	GI(Protien) :
PubChem	Potency	uM	27.306	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	53.447	ESR1	-	GI(Protien) :
PubChem	Potency	uM	6.859	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	26.601	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	26.601	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	36.413	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	54.483	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	4.611	TDP1	-	GI(Protien) :
PubChem	Potency	uM	9.200	TDP1	-	GI(Protien) :
PubChem	Potency	uM	10.322	TDP1	-	GI(Protien) :
PubChem	Potency	uM	11.886	TDP1	-	GI(Protien) :
PubChem	Potency	uM	14.963	TDP1	-	GI(Protien) :
PubChem	Potency	uM	18.837	TDP1	-	GI(Protien) :
PubChem	Potency	uM	21.136	TDP1	-	GI(Protien) :
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	3162.280	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	2511.890	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	7943.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	251.200	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	125.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	125.890	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	251.190	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	54482.700	NFE2L2	-	Target : CHEMBL1075094

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