Tan Lab | DSigDB

Gene Set: D4 : TTD - (11-BETA)-11,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE

Collection

D4 : TTD

Chemical Name

(11-BETA)-11,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE ( From PubChem : CORTICOSTERONE )

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
346.461 g/mol	2	4	2.6667	True

Structure

InChI

InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1

InChIKey

OMFXVFTZEKFJBZ-HJTSIMOOSA-N

Links

Gene (6 / 30)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			HSD11B1		Clinical trial target
TTD	Inhibitor			NR3C2		Successful target
PubChem	Potency-Replicate_1	uM	0.109	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.122	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.155	AR	-	GI(Protien) :
PubChem	Potency	uM	0.224	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.275	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.292	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.312	AR	-	GI(Protien) :
PubChem	Potency	uM	0.316	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.376	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.601	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.882	AR	-	GI(Protien) :
PubChem	IC50	uM		EIF4H	-	GI(Protien) :
PubChem	Potency	uM	0.411	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	1.300	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	6.513	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	68.729	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.069	NR3C1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.084	NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.123	NR3C1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.138	NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.169	NR3C1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.262	NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.390	NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.674	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
ChEMBL	Potency	nM	6513.100	NFE2L2	-	Target : CHEMBL1075094
ChEMBL	Potency	nM	410.900	NFE2L2	-	Target : CHEMBL1075094

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