Tan Lab | DSigDB

Gene Set: D4 : TTD - THIOCTIC ACID

Collection

D4 : TTD

Chemical Name

THIOCTIC ACID ( From PubChem : DL-THIOCTIC ACID )

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
206.326 g/mol	1	4	2.7851	True

Structure

InChI

InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1

InChIKey

AGBQKNBQESQNJD-SSDOTTSWSA-N

Links

Gene (25 / 48)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ACHE		Successful target
PubChem	Average IC50	uM	7.670	APOBEC3G	-	GI(Protien) :
PubChem	Potency	uM	1.000	BAZ2B	-	GI(Protien) :
PubChem	Potency	uM	14.125	BLM	-	GI(Protien) :
PubChem	IC50	uM		CACNA1B	-	GI(Protien) :
PubChem	None	uM		COPS5	-	GI(Protien) :
PubChem	IC50	uM		DUSP3	-	GI(Protien) :
PubChem	Potency	uM	1.778	EHMT2	-	GI(Protien) :
PubChem	Absolute IC50	uM	16.560	EIF4G1	-	GI(Protien) :
PubChem	None	uM		EIF4G1	-	GI(Protien) :
PubChem	Potency	uM	3.162	KAT2A	-	GI(Protien) :
PubChem	Potency	uM	3.162	L3MBTL1	-	GI(Protien) :
PubChem	None	uM		MBD2	-	GI(Protien) :
PubChem	None	uM		MBD2	-	GI(Protien) :
PubChem	None	uM		MCL1	-	GI(Protien) :
PubChem	None	uM		MCL1	-	GI(Protien) :
PubChem	None	uM		MCL1	-	GI(Protien) :
PubChem	None	uM		MCL1	-	GI(Protien) :
PubChem	Potency	uM	37.578	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	48.558	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	71.201	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	1.122	POLB	-	GI(Protien) :
PubChem	Potency	uM	6.702	POLK	-	GI(Protien) :
PubChem	IC50	uM	0.620	SAE1	-	GI(Protien) :
PubChem	IC50	uM	4.740	SAE1	-	GI(Protien) :
PubChem	IC50	uM	0.620	UBA2	-	GI(Protien) :
PubChem	IC50	uM	4.740	UBA2	-	GI(Protien) :
PubChem	IC50	uM	0.620	UBE2I	-	GI(Protien) :
PubChem	IC50	uM	4.740	UBE2I	-	GI(Protien) :
PubChem	None	uM		UHRF1	-	GI(Protien) :
PubChem	None	uM		UHRF1	-	GI(Protien) :
ChEMBL	Potency	nM	501.200	APEX1	-	Target : CHEMBL5619
ChEMBL	Potency	nM	1000.000	BAZ2B	-	Target : CHEMBL1741220
ChEMBL	Potency	nM	14125.400	BLM	-	Target : CHEMBL1293237
ChEMBL	Potency	nM	1778.300	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	15848.900	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	3162.300	KAT2A	-	Target : CHEMBL5501
ChEMBL	Potency	nM	3162.300	L3MBTL1	-	Target : CHEMBL1287622
ChEMBL	Potency	nM	1122.000	POLB	-	Target : CHEMBL2392
ChEMBL	Potency	nM	2818.400	RECQL	-	Target : CHEMBL1293236
ChEMBL	IC50	nM	4740.000	SAE1	-	Target : CHEMBL2095174
ChEMBL	IC50	nM	620.000	SAE1	-	Target : CHEMBL2095174
ChEMBL	Potency	nM	344.400	TDP1	-	Target : CHEMBL1075138
ChEMBL	Potency	nM	398.100	TDP1	-	Target : CHEMBL1075138
ChEMBL	Potency	nM	63.100	TDP1	-	Target : CHEMBL1075138
ChEMBL	IC50	nM	4740.000	UBA2	-	Target : CHEMBL2095174
ChEMBL	IC50	nM	620.000	UBA2	-	Target : CHEMBL2095174
ChEMBL	Activity	-		SLC2A1	-	Target : CHEMBL2535

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