Tan Lab | DSigDB

Gene Set: D4 : TTD - Ergocalciferol

Collection

D4 : TTD

Chemical Name

Ergocalciferol ( From PubChem : ERGOCALCIFEROL )

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
396.648 g/mol	1	1	7.641	False(3/4)

Structure

InChI

InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3

InChIKey

MECHNRXZTMCUDQ-UHFFFAOYSA-N

Links

Gene (11 / 24)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			VDR		Successful target
TTD	Drug(s)			VDR		Successful target
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.685	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	51.952	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	53.984	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	61.131	CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	14.125	EHMT2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	16.785	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	54.941	HSPB1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.560	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	18.433	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	22.975	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	24.337	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	16.360	TDP1	-	GI(Protien) :
PubChem	Potency	uM	26.609	TDP1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	3.856	VDR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	4.327	VDR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	10.230	VDR	-	GI(Protien) :
PubChem	Potency	uM	31.623	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	21.136	TDP1	-	GI(Protien) :
PubChem	Potency	uM	26.609	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	14125.400	EHMT2	-	Target : CHEMBL6032

Download gene sets

gmt, text, Detailed text