Tan Lab | DSigDB

Gene Set: D1 - Approved - SULINDAC

Collection

D1 : Approved

Chemical Name

SULINDAC

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
356.411 g/mol	1	3	5.2312	False(3/4)

Structure

InChI

InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-/t25-/m1/s1

InChIKey

Links

Gene (14 / 38)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem	Potency	uM	13.333	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	16.580	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	17.780	AHR	-	GI(Protien) :
PubChem	Potency	uM	24.337	AHR	-	GI(Protien) :
PubChem	IC50	uM	0.374	AKR1B1	-	GI(Protien) :
PubChem		uM		CYP1A2		GI(Protien) :
PubChem		uM		CYP1A2	-	GI(Protien) :
PubChem		uM		CYP1A2	-	GI(Protien) :
PubChem		uM		CYP2C19		GI(Protien) :
PubChem	Potency	uM	12.589	CYP2C9	-	GI(Protien) :
PubChem		uM		CYP2C9		GI(Protien) :
PubChem		uM		CYP2C9	-	GI(Protien) :
PubChem		uM		CYP2D6		GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem	Ratio Potency (uM)	uM	29.484	NFE2L2	-	GI(Protien) :
PubChem		uM		PTGS1		GI(Protien) :
PubChem		uM		PTGS2		GI(Protien) :
PubChem		uM		RXRA		GI(Protien) :
PubChem		uM		RXRA		GI(Protien) :
PubChem		uM		RXRA		GI(Protien) :
PubChem	Potency	uM	11.886	TDP1	-	GI(Protien) :
ChEMBL	AC50	nM	12589.200	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	3981.070	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	12589.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	12589.200	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	50118.700	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	8436.800	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	35481.300	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Inhibition	-		RXRA	-	Target : CHEMBL2061
ChEMBL	Inhibition	-		RXRA	-	Target : CHEMBL2061
ChEMBL	Inhibition	-		RXRA	-	Target : CHEMBL2061

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