Tan Lab | DSigDB

Gene Set: D4 : TTD - Diacerein

Collection

D4 : TTD

Chemical Name

Diacerein ( From PubChem : DIACEREIN )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
368.294 g/mol	1	8	2.0108	True

Structure

InChI

InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)

InChIKey

Links

Gene (10 / 18)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			IL1B		Successful target
PubChem	EC50	uM	7.894	CASP3	-	GI(Protien) :
PubChem	None	uM		CASP3	-	GI(Protien) :
PubChem	None	uM		CASP3	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Potency	uM	3.548	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	16.947	EYA2	-	GI(Protien) :
PubChem	None	uM		GSTO1	-	GI(Protien) :
PubChem	None	uM		HCRTR1	-	GI(Protien) :
PubChem	None	uM		HCRTR1	-	GI(Protien) :
PubChem	IC50	uM	9.234	HSP90AA1	-	GI(Protien) :
PubChem	None	uM		HSP90AA1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	11.435	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	14.959	NFE2L2	-	GI(Protien) :
ChEMBL	EC50	nM	7894.000	CASP3	-	Target : CHEMBL2334
ChEMBL	Potency	nM	3548.100	EHMT2	-	Target : CHEMBL6032
ChEMBL	IC50	nM	9234.000	HSP90AA1	-	Target : CHEMBL2095165
ChEMBL	IC50	nM	9234.000	HSP90AB1	-	Target : CHEMBL2095165

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