acompound

Showing entry for N-Methylmescaline

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0034989
Compound Name	N-Methylmescaline
Structure
Formula	C12H19NO3
InchiKey	OTXANOLOOUNVSR-UHFFFAOYSA-N
SMILES	CNCCc1cc(OC)c(c(c1)OC)OC
Inchi	InChI=1S/C12H19NO3/c1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3/h7-8,13H,5-6H2,1-4H3
IUPAC	N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine
Molecular Weight	225.14
Pubchem Id	138365
Chembl Id	CHEMBL100531

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P28565	BXGT009273	5-hydroxytryptamine receptor 1D	reviewed	-	Htr1d	Kd	'='	5248	nM
P19327	BXGT008472	5-hydroxytryptamine receptor 1A	reviewed	-	Htr1a	Kd	'='	5248	nM
P35364	BXGT009819	5-hydroxytryptamine receptor 5A	reviewed	-	Htr5a	Kd	'='	5248	nM
P30940	BXGT009484	5-hydroxytryptamine receptor 1F	reviewed	-	Htr1f	Kd	'='	5248	nM
P14842	BXGT008059	5-hydroxytryptamine receptor 2A	reviewed	-	Htr2a	Kd	'='	5248	nM
P08909	BXGT006838	5-hydroxytryptamine receptor 2C	reviewed	-	Htr2c	Kd	'='	5248	nM
Q62758	BXGT016041	5-hydroxytryptamine receptor 4	reviewed	-	Htr4	Kd	'='	5248	nM
P30994	BXGT009493	5-hydroxytryptamine receptor 2B	reviewed	-	Htr2b	Kd	'='	5248	nM
P28564	BXGT009272	5-hydroxytryptamine receptor 1B	reviewed	-	Htr1b	Kd	'='	5248	nM
Q9JJ16	BXGT020824	5-hydroxytryptamine receptor 3B	reviewed	-	Htr3b	Kd	'='	5248	nM
P31388	BXGT009532	5-hydroxytryptamine receptor 6	reviewed	-	Htr6	Kd	'='	5248	nM
P32305	BXGT009621	5-hydroxytryptamine receptor 7	reviewed	-	Htr7	Kd	'='	5248	nM
P35365	BXGT009820	5-hydroxytryptamine receptor 5B	reviewed	-	Htr5b	Kd	'='	5248	nM
P35563	BXGT009849	5-hydroxytryptamine receptor 3A	reviewed	-	Htr3a	Kd	'='	5248	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00008	Garlic	Allium sativum	Herbs and Spices
BXGF01655	Lophophora williamsii	Lophophora williamsii	Medicinal Plant
BXGF03437	Alhagi maurorum	Alhagi maurorum	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}