Tan Lab | DSigDB

Gene Set: D4 : TTD - 3,5-Dinitrocatechol

Collection

D4 : TTD

Chemical Name

3,5-Dinitrocatechol ( From PubChem : 3,5-DINITROCATECHOL )

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
200.106 g/mol	2	2	1.9606	True

Structure

InChI

InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H

InChIKey

Links

Gene (15 / 25)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			COMT		Successful target
PubChem	Potency	uM	19.012	ARSA	-	GI(Protien) :
PubChem	Potency	uM	0.794	CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	None	uM		DAGLB	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	Potency	uM	7.943	EHMT2	-	GI(Protien) :
PubChem	None	uM		GFER	-	GI(Protien) :
PubChem	Potency	uM	12.589	GLS	-	GI(Protien) :
PubChem	None	uM		GSTO1	-	GI(Protien) :
PubChem	None	uM		MRGPRX1	-	GI(Protien) :
PubChem	None	uM		PAFAH2	-	GI(Protien) :
PubChem	None	uM		PLA2G7	-	GI(Protien) :
PubChem	None	uM		PLA2G7	-	GI(Protien) :
PubChem	Potency	uM	3.162	POLK	-	GI(Protien) :
PubChem	Potency	uM	15.849	POLK	-	GI(Protien) :
PubChem	None	uM		PRMT1	-	GI(Protien) :
ChEMBL	Potency	nM	10000.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	794.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	794.330	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	7943.300	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	19952.600	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	10000.000	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	7943.300	KDM4E	-	Target : CHEMBL1293226

Download gene sets