acompound

Showing entry for N-Methylphenethylamine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004761
Compound Name	N-Methylphenethylamine
Structure
Formula	C9H13N
InchiKey	SASNBVQSOZSTPD-UHFFFAOYSA-N
SMILES	CNCCC1=CC=CC=C1
Inchi	InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
IUPAC	methyl(2-phenylethyl)amine
Molecular Weight	135.21
Pubchem Id	11503
Chembl Id	CHEMBL45763

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

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
reviewed	BXGT019728	Trace amine-associated receptor 1	reviewed	G-protein coupled receptor	TAAR1	-	-	-	387
reviewed	BXGT019728	Trace amine-associated receptor 1	reviewed	G-protein coupled receptor	TAAR1	-	-	-	250

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
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Activity	-	-	-
Q96RJ0	BXGT019728	Trace amine-associated receptor 1	reviewed	G-protein coupled receptor	TAAR1	Emax	'='	93	%
Q96RJ0	BXGT019728	Trace amine-associated receptor 1	reviewed	G-protein coupled receptor	TAAR1	EC50	'='	387	nM
Q96RJ0	BXGT019728	Trace amine-associated receptor 1	reviewed	G-protein coupled receptor	TAAR1	Emax	'='	69	%
Q13315	BXGT013339	Serine-protein kinase ATM	reviewed	Kinase	ATM	Potency	'='	31622	nM
P56560	BXGT011180	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	k cat	-	-	-
Q96RJ0	BXGT019728	Trace amine-associated receptor 1	reviewed	G-protein coupled receptor	TAAR1	EC50	'='	250	nM
P56560	BXGT011180	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	Km	-	-	-
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	5	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00085	Soy bean	Glycine max	Soy
BXGF00105	Apple	Malus pumila	Fruits
BXGF00178	Spinach	Spinacia oleracea	Vegetables
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00803	Cabbage	Brassica oleracea var. capitata	Vegetables
BXGF00839	White cabbage	Brassica oleracea L. var. capitata L. f. alba DC.	Vegetables

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}