Tan Lab | DSigDB

Gene Set: D4 : TTD - Calcitriol

Collection

D4 : TTD

Chemical Name

Calcitriol ( From PubChem : CALCITRIOL )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
416.636 g/mol	3	3	5.7047	False(3/4)

Structure

InChI

InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1

InChIKey

GMRQFYUYWCNGIN-NKMMMXOESA-N

Links

Gene (12 / 28)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			VDR		Successful target
TTD	Agonist			VDR		Successful target
TTD	Drug(s)			VDR		Successful target
PubChem	Potency-Replicate_1	uM	10.591	AHR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	21.314	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	26.603	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	29.849	AR	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	29.849	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	31.017	ESR1	-	GI(Protien) :
PubChem	Potency	uM	21.136	GMNN	-	GI(Protien) :
PubChem	None	uM		HSP90AA1	-	GI(Protien) :
PubChem	None	uM		JAK2	-	GI(Protien) :
PubChem	None	uM		KCNQ1	-	GI(Protien) :
PubChem	None	uM		NLRP3	-	GI(Protien) :
PubChem	None	uM		NLRP3	-	GI(Protien) :
PubChem	None	uM		NLRP3	-	GI(Protien) :
PubChem	EC50	uM		NOD1	-	GI(Protien) :
PubChem	Potency	uM	9.441	TDP1	-	GI(Protien) :
ChEMBL	Activity	-		VDR	-	Target : CHEMBL1977
ChEMBL	Activity	-		VDR	-	Target : CHEMBL1977
ChEMBL	Activity	-		VDR	-	Target : CHEMBL1977
ChEMBL	Activity	-		VDR	-	Target : CHEMBL1977
ChEMBL	Activity	-		VDR	-	Target : CHEMBL1977
ChEMBL	Activity	-		VDR	-	Target : CHEMBL1977
ChEMBL	Activity	-		VDR	-	Target : CHEMBL1977
ChEMBL	Activity	-		VDR	-	Target : CHEMBL1977

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