Tan Lab | DSigDB

Gene Set: D4 : TTD - N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE

Collection

D4 : TTD

Chemical Name

N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE ( From PubChem : DIPHENHYDRAMINE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
255.355 g/mol	0	2	3.3542	True

Structure

InChI

InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3

InChIKey

Links

Gene (9 / 19)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			HNMT		Successful target
TTD	Antagonist			HRH1		Successful target
TTD	Drug(s)			HRH1		Successful target
PubChem	None	uM		CHRM5	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	3981.100	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	12589.200	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	3981.070	CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	12589.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340

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