Tan Lab | DSigDB

Gene Set: D4 : TTD - Methylergonovine

Collection

D4 : TTD

Chemical Name

Methylergonovine ( From PubChem : METHYLERGONOVINE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
339.431 g/mol	3	4	2.2535	True

Structure

InChI

InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1

InChIKey

UNBRKDKAWYKMIV-QWQRMKEZSA-N

Links

Gene (12 / 21)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			DRD1		Successful target
TTD	Drug(s)			DRD1		Successful target
PubChem	Potency	uM	3.548	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	0.005	DRD1	-	GI(Protien) :
PubChem	Potency	uM	0.447	DRD1	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Potency	uM	14.125	EHMT2	-	GI(Protien) :
PubChem	None	uM		HTR1E		GI(Protien) :
PubChem	None	uM		HTR1E		GI(Protien) :
PubChem	None	uM		HTR1F		GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR2C		GI(Protien) :
PubChem	Potency	uM	15.003	RGS4	-	GI(Protien) :
PubChem	Potency	uM	14.125	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	3548.100	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	446.700	DRD1	-	Target : CHEMBL2056
ChEMBL	Potency	nM	14125.400	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	35481.300	RECQL	-	Target : CHEMBL1293236

Download gene sets

gmt, text, Detailed text