Tan Lab | DSigDB

Gene Set: D4 : TTD - 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE

Collection

D4 : TTD

Chemical Name

1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE ( From PubChem : PAPAVERINE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
339.385 g/mol	0	5	3.86	True

Structure

InChI

InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3

InChIKey

Links

Gene (14 / 30)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			PDE4D		Successful target
TTD	Inhibitor			PDE5A		Successful target
TTD	Drug(s)			PDE5A		Successful target
PubChem	Potency	uM	0.006	CBX1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	1.995	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	2.512	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	5.623	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	7.308	NFE2L2	-	GI(Protien) :
PubChem	None	uM		PDE4B	-	GI(Protien) :
PubChem	Potency	uM	13.336	TDP1	-	GI(Protien) :
PubChem	Potency	uM	13.336	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.589	THPO	-	GI(Protien) :
ChEMBL	Potency	nM	6.000	CBX1	-	Target : CHEMBL1741193
ChEMBL	Potency	nM	562.300	CREBBP	-	Target : CHEMBL5747
ChEMBL	Potency	nM	707.900	CREBBP	-	Target : CHEMBL5747
ChEMBL	Potency	nM	5011.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	12589.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	12589.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	1995.260	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	1995.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	2511.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	2511.890	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	5623.400	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	7307.800	NFE2L2	-	Target : CHEMBL1075094
ChEMBL	Potency	nM	12589.300	THPO	-	Target : CHEMBL1293256

Download gene sets