Tan Lab | DSigDB

Gene Set: D4 : TTD - Propantheline

Collection

D4 : TTD

Chemical Name

Propantheline ( From PubChem : PROPANTHELINE )

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
368.489 g/mol	0	3	4.7308	True

Structure

InChI

InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1

InChIKey

Links

Gene (9 / 21)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			CHRM1		Successful target
TTD	Drug(s)			CHRM1		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	1.259	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	31.623	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	None	uM		CHRM1	-	GI(Protien) :
PubChem	None	uM		CHRM4	-	GI(Protien) :
PubChem	None	uM		CHRM5	-	GI(Protien) :
PubChem	Potency	uM	4.611	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	5.173	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	38.895	PPARG	-	GI(Protien) :
PubChem	None	uM		RGS4	-	GI(Protien) :
ChEMBL	AC50	nM	12589.200	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	1258.930	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	31622.800	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	1258.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	31622.800	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	5173.500	NFE2L2	-	Target : CHEMBL1075094

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