Tan Lab | DSigDB

Gene Set: D4 : TTD - MESULERGINE

Collection

D4 : TTD

Chemical Name

MESULERGINE ( From PubChem : MESULERGINE )

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
362.49 g/mol	1	6	2.6963	True

Structure

InChI

InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1

InChIKey

JLVHTNZNKOSCNB-YSVLISHTSA-N

Links

Gene (9 / 20)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ADORA3		Successful target
TTD	Inhibitor			HTR3A		Successful target
TTD	Inhibitor			HTR3B		Clinical trial target
TTD	Inhibitor			HTR7		Research target
PubChem	Potency-Replicate_1	uM	13.333	AHR	-	GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR2C		GI(Protien) :
PubChem	None	uM		HTR2C		GI(Protien) :
PubChem	None	uM		HTR2C		GI(Protien) :
PubChem	None	uM		HTR6		GI(Protien) :
PubChem	None	uM		HTR6		GI(Protien) :
PubChem	None	uM		HTR6		GI(Protien) :
PubChem	None	uM		HTR7		GI(Protien) :
PubChem	None	uM		HTR7		GI(Protien) :
PubChem	None	uM		HTR7		GI(Protien) :
PubChem	None	uM		HTR7		GI(Protien) :

Download gene sets

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