Tan Lab | DSigDB

Gene Set: D4 : TTD - 2-(3,4,5-Trihydroxy-benzylidene)-malononitrile

Collection

D4 : TTD

Chemical Name

2-(3,4,5-Trihydroxy-benzylidene)-malononitrile ( From PubChem : TYRPHOSTIN 25 )

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
202.166 g/mol	3	5	1.23396	True

Structure

InChI

InChI=1S/C10H6N2O3/c11-4-7(5-12)1-6-2-8(13)10(15)9(14)3-6/h1-3,13-15H

InChIKey

Links

Gene (15 / 29)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			LCK		Successful target
PubChem	Potency	uM	28.184	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	7.943	ALOX15	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	8.912	EHMT2	-	GI(Protien) :
PubChem	None	uM		IDH1	-	GI(Protien) :
PubChem	Potency	uM	12.589	MAPT	-	GI(Protien) :
PubChem	Potency	uM	22.387	MAPT	-	GI(Protien) :
PubChem	Potency	uM	39.811	MPHOSPH8	-	GI(Protien) :
PubChem	Potency	uM	2.239	POLH	-	GI(Protien) :
PubChem	Potency	uM	9.466	POLI	-	GI(Protien) :
PubChem	Potency	uM	1.995	POLK	-	GI(Protien) :
PubChem	Potency	uM	3.162	POLK	-	GI(Protien) :
PubChem	Potency	uM	9.441	TDP1	-	GI(Protien) :
PubChem	Potency	uM	14.963	TDP1	-	GI(Protien) :
PubChem	Potency	uM	18.356	TDP1	-	GI(Protien) :
PubChem	Potency	uM	22.387	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	28183.800	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	7943.300	ALOX15	-	Target : CHEMBL2903
ChEMBL	AC50	nM	10000.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	10000.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	8912.500	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	3981.100	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	19952.600	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	1995.300	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	12589.300	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	22387.200	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	39810.700	MPHOSPH8	-	Target : CHEMBL1741210

Download gene sets