Tan Lab | DSigDB

Gene Set: D4 : TTD - Menadione

Collection

D4 : TTD

Chemical Name

Menadione ( From PubChem : MENADIONE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
172.18 g/mol	0	2	2.0119	True

Structure

InChI

InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3

InChIKey

MJVAVZPDRWSRRC-UHFFFAOYSA-N

Links

Gene (31 / 69)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			AOX1		Successful target
TTD	Drug(s)			AOX1		Successful target
TTD	Inhibitor			CDC25A		Research target
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	IC50	uM	7.895	ABHD5	-	GI(Protien) :
PubChem	IC50	uM	9.468	ABHD5	-	GI(Protien) :
PubChem	None	uM		ABHD5	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	5.308	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	6.682	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	17.229	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	24.337	AHR	-	GI(Protien) :
PubChem	Potency	uM	14.125	ALDH1A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	30.638	AR	-	GI(Protien) :
PubChem	Potency	uM	10.000	ATXN2	-	GI(Protien) :
PubChem	Potency	uM	17.783	BLM	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	19.331	CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	2.512	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Potency	uM	7.943	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	8.912	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	39.811	EHMT2	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	28.180	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	29.849	ESR1	-	GI(Protien) :
PubChem	None	uM		GAPDH	-	GI(Protien) :
PubChem	None	uM		GSTO1	-	GI(Protien) :
PubChem	None	uM		GSTO1	-	GI(Protien) :
PubChem	Potency	uM	12.589	HBB	-	GI(Protien) :
PubChem	Potency	uM	5.012	MAPT	-	GI(Protien) :
PubChem	Potency	uM	15.849	MAPT	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	9.438	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	9.998	NFE2L2	-	GI(Protien) :
PubChem	IC50	uM	7.895	PLIN1	-	GI(Protien) :
PubChem	None	uM		PLIN1	-	GI(Protien) :
PubChem	IC50	uM	9.468	PLIN5	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	33.489	PPARD	-	GI(Protien) :
PubChem	None	uM		PTGER2	-	GI(Protien) :
PubChem	Potency	uM	4.611	TDP1	-	GI(Protien) :
PubChem	Potency	uM	8.200	TDP1	-	GI(Protien) :
PubChem	Potency	uM	20.596	TDP1	-	GI(Protien) :
PubChem	Potency	uM	10.000	TP53	-	GI(Protien) :
PubChem	Potency	uM	25.119	TP53	-	GI(Protien) :
PubChem	Potency	uM	3.548	VDR	-	GI(Protien) :
PubChem	Potency	uM	7.943	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	14125.400	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	17782.800	BLM	-	Target : CHEMBL1293237
ChEMBL	AC50	nM	158.490	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	2511.890	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	2511.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	7943.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	7943.280	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	8912.500	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	39810.700	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	7943.300	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	12589.300	HBB	-	Target : CHEMBL4331
ChEMBL	Inhibition	-		MAOA	-	Target : CHEMBL1951
ChEMBL	Inhibition	-		MAOA	-	Target : CHEMBL1951
ChEMBL	Inhibition	-		MAOB	-	Target : CHEMBL2039
ChEMBL	Inhibition	-		MAOB	-	Target : CHEMBL2039
ChEMBL	Potency	nM	15848.900	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	7079.500	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	5011.900	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	25118.900	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	10000.000	TP53	-	Target : CHEMBL4096

Download gene sets

gmt, text, Detailed text