Tan Lab | DSigDB

Gene Set: D4 : TTD - Dexamethasone

Collection

D4 : TTD

Chemical Name

Dexamethasone ( From PubChem : DEXAMETHASONE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
392.461 g/mol	3	5	1.8957	True

Structure

InChI

InChI=1S/C22H29FO5/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/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1

InChIKey

UREBDLICKHMUKA-CXSFZGCWSA-N

Links

Gene (10 / 26)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Agonist			NR3C1		Successful target
TTD	Drug(s)			NR3C1		Successful target
PubChem	Potency-Replicate_1	uM	0.008	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.929	AR	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	Potency	uM	0.005	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	0.005	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	0.005	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	0.006	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	42.163	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.004	NR3C1	-	GI(Protien) :
PubChem	Potency	uM	0.016	NR3C1	-	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	4.600	NFE2L2	-	Target : CHEMBL1075094
ChEMBL	Potency	nM	5.200	NFE2L2	-	Target : CHEMBL1075094
ChEMBL	Activity	-		NR3C1	-	Target : CHEMBL2034
ChEMBL	Activity	-		NR3C1	-	Target : CHEMBL2034
ChEMBL	Inhibition	-		RELA	-	Target : CHEMBL5533
ChEMBL	Inhibition	-		RELA	-	Target : CHEMBL5533
ChEMBL	Inhibition	-		RELA	-	Target : CHEMBL5533
ChEMBL	Inhibition	-		RELA	-	Target : CHEMBL5533

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