Tan Lab | DSigDB

Gene Set: D4 : TTD - 1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione

Collection

D4 : TTD

Chemical Name

1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione ( From PubChem : APOPTOSIS ACTIVATOR 2 )

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
306.143 g/mol	0	3	3.7879	True

Structure

InChI

InChI=1S/C15H9Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1-7H,8H2

InChIKey

Links

Gene (13 / 26)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			CES1		Research target
PubChem	Potency	uM	0.050	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	0.079	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	10.000	ALOX15	-	GI(Protien) :
PubChem	IC50_Mean	uM	34.000	APAF1	-	GI(Protien) :
PubChem	IC50_Mean	uM	22.700	CASP3	-	GI(Protien) :
PubChem	IC50_Mean	uM	22.700	CASP9	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	14.125	MAPT	-	GI(Protien) :
PubChem	None	uM		MAPT	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	1.884	TDP1	-	GI(Protien) :
PubChem	Potency	uM	2.661	TDP1	-	GI(Protien) :
PubChem	Potency	uM	6.310	TP53	-	GI(Protien) :
ChEMBL	Potency	nM	79.400	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	50.100	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	10000.000	ALOX15	-	Target : CHEMBL2903
ChEMBL	Potency	nM	7943.300	ALOX15B	-	Target : CHEMBL2457
ChEMBL	AC50	nM	12589.200	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	3981.100	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	3981.070	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	14125.400	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	6309.600	TP53	-	Target : CHEMBL4096

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