Tan Lab | DSigDB

Gene Set: D4 : TTD - Piroxicam

Collection

D4 : TTD

Chemical Name

Piroxicam ( From PubChem : CID 5280452 )

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
331.346 g/mol	2	7	2.8293	True

Structure

InChI

InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,20H,1H3,(H,16,17)/b15-13+

InChIKey

Links

Gene (10 / 29)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			PTGS2		Successful target
TTD	Drug(s)			PTGS2		Successful target
PubChem	Potency-Replicate_1	uM	24.559	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	32.128	AHR	-	GI(Protien) :
PubChem	Potency	uM	50.119	BAZ2B	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	6.310	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	25.119	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	7.080	EHMT2	-	GI(Protien) :
ChEMBL	Potency	nM	50118.700	BAZ2B	-	Target : CHEMBL1741220
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	19952.600	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	6309.570	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	6309.600	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	3981.070	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	3981.100	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	25118.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	25118.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	35481.300	KDM4A	-	Target : CHEMBL5896

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