Tan Lab | DSigDB

Gene Set: D4 : TTD - JUGLONE

Collection

D4 : TTD

Chemical Name

JUGLONE ( From PubChem : JUGLONE )

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
174.153 g/mol	1	3	1.3274	True

Structure

InChI

InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H

InChIKey

KQPYUDDGWXQXHS-UHFFFAOYSA-N

Links

Gene (25 / 54)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ALOX5		Successful target
TTD	Inhibitor			CDC25B		Research target
TTD	Inhibitor			DHODH		Successful target
TTD	Inhibitor			DUSP1		Research target
TTD	Inhibitor			IDO1		Successful target
PubChem	Potency	uM	12.589	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	1.995	ALOX15	-	GI(Protien) :
PubChem	Potency	uM	3.162	BLM	-	GI(Protien) :
PubChem	Potency	uM	5.623	BLM	-	GI(Protien) :
PubChem	Potency	uM	19.953	CASP1	-	GI(Protien) :
PubChem	Potency	uM	4.467	CBFB	-	GI(Protien) :
PubChem	Potency	uM	22.387	CBFB	-	GI(Protien) :
PubChem	Potency	uM	14.125	HPGD	-	GI(Protien) :
PubChem	Potency	uM	0.631	KAT2A	-	GI(Protien) :
PubChem	Potency	uM	2.239	KAT2A	-	GI(Protien) :
PubChem	Potency	uM	11.220	MAPT	-	GI(Protien) :
PubChem	Potency	uM	2.668	POLK	-	GI(Protien) :
PubChem	Potency	uM	3.162	POLK	-	GI(Protien) :
PubChem	None	uM		RNASEH1	-	GI(Protien) :
PubChem	Potency	uM	4.467	RUNX1	-	GI(Protien) :
PubChem	Potency	uM	22.387	RUNX1	-	GI(Protien) :
PubChem	Potency	uM	8.912	THRB	-	GI(Protien) :
PubChem	Potency	uM	10.000	THRB	-	GI(Protien) :
PubChem	Potency	uM	8.912	USP1	-	GI(Protien) :
PubChem	Potency	uM	12.589	USP2	-	GI(Protien) :
PubChem	Potency	uM	31.623	VDR	-	GI(Protien) :
PubChem	Potency	uM	39.811	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	12589.300	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	1995.300	ALOX15	-	Target : CHEMBL2903
ChEMBL	Potency	nM	3162.300	ALOX15B	-	Target : CHEMBL2457
ChEMBL	Potency	nM	3162.300	BLM	-	Target : CHEMBL1293237
ChEMBL	Potency	nM	5623.400	BLM	-	Target : CHEMBL1293237
ChEMBL	Potency	nM	19952.600	CASP1	-	Target : CHEMBL4801
ChEMBL	Potency	nM	22387.200	CBFB	-	Target : CHEMBL2093862
ChEMBL	Potency	nM	4466.800	CBFB	-	Target : CHEMBL2093862
ChEMBL	Potency	nM	14125.400	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	794.300	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	2238.700	KAT2A	-	Target : CHEMBL5501
ChEMBL	Potency	nM	631.000	KAT2A	-	Target : CHEMBL5501
ChEMBL	Potency	nM	7079.500	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	11220.200	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	7079.500	MAPT	-	Target : CHEMBL1293224
ChEMBL	Inhibition	-		POLK	-	Target : CHEMBL5365
ChEMBL	Inhibition	-		POLK	-	Target : CHEMBL5365
ChEMBL	Inhibition	-		POLL	-	Target : CHEMBL5367
ChEMBL	Inhibition	-		POLL	-	Target : CHEMBL5367
ChEMBL	Potency	nM	7943.300	RECQL	-	Target : CHEMBL1293236
ChEMBL	Potency	nM	4466.800	RECQL	-	Target : CHEMBL1293236
ChEMBL	Potency	nM	1778.300	RECQL	-	Target : CHEMBL1293236
ChEMBL	Potency	nM	22387.200	RUNX1	-	Target : CHEMBL2093862
ChEMBL	Potency	nM	4466.800	RUNX1	-	Target : CHEMBL2093862
ChEMBL	Potency	nM	8912.500	THRB	-	Target : CHEMBL1947
ChEMBL	Potency	nM	10000.000	THRB	-	Target : CHEMBL1947
ChEMBL	Potency	nM	12589.300	USP2	-	Target : CHEMBL1293227

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