Tan Lab | DSigDB

Gene Set: D4 : TTD - Beclomethasone

Collection

D4 : TTD

Chemical Name

Beclomethasone ( From PubChem : BECLOMETHASONE )

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
408.916 g/mol	3	5	2.165	True

Structure

InChI

InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3

InChIKey

NBMKJKDGKREAPL-UHFFFAOYSA-N

Links

Gene (12 / 23)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Drug(s)			SERPINA6		Successful target
PubChem	Ratio Potency (uM)	uM	0.012	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.012	AR	-	GI(Protien) :
PubChem	Potency	uM	0.013	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.047	AR	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	Potency	uM	1.000	HIF1A	-	GI(Protien) :
PubChem	None	uM		IL1B	-	GI(Protien) :
PubChem	Potency	uM	0.015	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	0.015	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.033	NR3C1	-	GI(Protien) :
PubChem	Potency	uM	0.035	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	0.016	NFE2L2	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		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	1000.000	HIF1A	-	Target : CHEMBL4261
ChEMBL	Potency	nM	14.600	NFE2L2	-	Target : CHEMBL1075094

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