Tan Lab | DSigDB

Gene Set: D4 : TTD - [(125)I] RB129

Collection

D4 : TTD

Chemical Name

[(125)I] RB129 ( From PubChem : ENOXOLONE )

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
470.684 g/mol	2	4	6.4126	False(3/4)

Structure

InChI

InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)

InChIKey

MPDGHEJMBKOTSU-UHFFFAOYSA-N

Links

Gene (18 / 24)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ANPEP		Research target
TTD	Inhibitor			HSD11B1		Clinical trial target
TTD	Inhibitor			HSD11B2		Research target
PubChem	Potency	uM	26.609	GMNN	-	GI(Protien) :
PubChem	None	uM		AKR1C4	-	GI(Protien) :
PubChem	None	uM		HSD11B1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	43.156	HSPB1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.314	NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	23.915	NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	43.156	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	33.587	POLK	-	GI(Protien) :
PubChem	Potency	uM	2.372	TDP1	-	GI(Protien) :
PubChem	Potency	uM	7.499	TDP1	-	GI(Protien) :
ChEMBL	Inhibition	-		AKR1B10	-	Target : CHEMBL5983
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	Activity	-		PPARG	-	Target : CHEMBL235
ChEMBL	Inhibition	-		PRKCA	-	Target : CHEMBL3137267
ChEMBL	Inhibition	-		PRKCB	-	Target : CHEMBL3137267
ChEMBL	Activity	-		PRKCD	-	Target : CHEMBL2996

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