Tan Lab | DSigDB

Gene Set: D4 : TTD - Guggulsterone

Collection

D4 : TTD

Chemical Name

Guggulsterone ( From PubChem : GUGGULSTERONES E )

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
312.446 g/mol	0	2	4.6436	True

Structure

InChI

InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1

InChIKey

WDXRGPWQVHZTQJ-AUKWTSKRSA-N

Links

Gene (7 / 25)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			NR1H4		Successful target
TTD	Drug(s)			NR1H4		Successful target
PubChem	Potency-Replicate_1	uM	2.448	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	3.082	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	8.609	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	8.609	AR	-	GI(Protien) :
PubChem	Potency	uM	44.668	AR	-	GI(Protien) :
PubChem	Potency	uM	1.000	CYP3A4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	34.271	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	19.446	HSPB1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	28.543	HSPB1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.418	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	3.758	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	35.481	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	9.579	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	10.343	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	11.285	AR	-	GI(Protien) :
PubChem	Potency	uM	44.668	AR	-	GI(Protien) :
PubChem	Potency	uM	39.811	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.755	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	2.985	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	8.537	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
ChEMBL	Potency	nM	1000.000	CYP3A4	-	Target : CHEMBL340

Download gene sets

gmt, text, Detailed text