Tan Lab | DSigDB

Gene Set: D4 : TTD - Nimesulide

Collection

D4 : TTD

Chemical Name

Nimesulide ( 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 (14 / 27)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			LTF		Research target
TTD	Inhibitor			PTGS2		Successful target
TTD	Drug(s)			PTGS2		Successful target
TTD	Multitarget			TNFRSF10A		Clinical trial target
TTD	Agonist			TNFRSF10A		Clinical trial target
TTD	Drug(s)			TNFRSF10A		Clinical trial target
TTD	Multitarget			TNFRSF10B		Clinical trial target
TTD	Agonist			TNFRSF10B		Clinical trial target
TTD	Drug(s)			TNFRSF10B		Clinical trial target
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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