Tan Lab | DSigDB

Gene Set: D4 : Boss - 4'-nitro-2'-phenoxymethanesulfonanilide

Collection

D4 : Boss

Chemical Name

4'-nitro-2'-phenoxymethanesulfonanilide ( From PubChem : NIMESULIDE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
308.31 g/mol	1	4	4.4356	True

Structure

InChI

InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3

InChIKey

Links

Gene (18 / 26)

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Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			BCL2
BOSS	Text Mining			CASP3
BOSS	Text Mining			COX8C
BOSS	Text Mining			MPO
BOSS	Text Mining			PTGES
BOSS	Text Mining			PTGS1
BOSS	Text Mining			SLC7A1
BOSS	Text Mining			TNFSF10
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	3.162	CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	31.623	EHMT2	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
ChEMBL	Potency	nM	39810.700	APEX1	-	Target : CHEMBL5619
ChEMBL	Potency	nM	39810.700	APEX1	-	Target : CHEMBL5619
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	3162.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	10000.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	3162.280	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	8912.500	TDP1	-	Target : CHEMBL1075138

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