acompound

Showing entry for 7-Methoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-6-Ol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0040367
Compound Name	7-Methoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-6-Ol
Structure
Formula	C11H15NO2
InchiKey	VKAPHOQGGQKBAI-UHFFFAOYSA-N
SMILES	COc1cc2CN(C)CCc2cc1O
Inchi	InChI=1S/C11H15NO2/c1-12-4-3-8-5-10(13)11(14-2)6-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
IUPAC	7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
Molecular Weight	193.11
Pubchem Id	2752173
Chembl Id	CHEMBL3235514

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	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed		Chrna4	10000	-	-	-
reviewed	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed		Chrna4	100000	-	-	-
reviewed	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed		Chrna3	300000	-	-	-
reviewed	BXGT020309	Neuronal acetylcholine receptor subunit beta-2	reviewed		Chrnb2	-	33000	-	-
reviewed	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed		Chrna3	-	1000000	-	-

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
P12392	BXGT007812	Neuronal acetylcholine receptor subunit beta-4	reviewed	-	Chrnb4	Ki	'='	300000	nM
P04757	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed	-	Chrna3	Ki	'='	300000	nM
P12392	BXGT007812	Neuronal acetylcholine receptor subunit beta-4	reviewed	-	Chrnb4	IC50	'='	1000000	nM
P04757	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed	-	Chrna3	IC50	'='	1000000	nM
P12392	BXGT007812	Neuronal acetylcholine receptor subunit beta-4	reviewed	-	Chrnb4	Ki	'='	100000	nM
P09483	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed	-	Chrna4	Ki	'='	100000	nM
P12390	BXGT007810	Neuronal acetylcholine receptor subunit beta-2	reviewed	-	Chrnb2	Ki	'='	10000	nM
P09483	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed	-	Chrna4	Ki	'='	10000	nM
P12390	BXGT007810	Neuronal acetylcholine receptor subunit beta-2	reviewed	-	Chrnb2	Inhibition	-	-	-
P09483	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed	-	Chrna4	Inhibition	-	-	-
Q8R493	BXGT018685	Neuronal acetylcholine receptor subunit beta-4	reviewed	-	Chrnb4	IC50	'='	33000	nM
Q9ERK7	BXGT020309	Neuronal acetylcholine receptor subunit beta-2	reviewed	-	Chrnb2	IC50	'='	33000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00951	Chrysanthemum myconis	Chrysanthemum myconis	Others
BXGF04038	Plectranthus ernstii	Plectranthus ernstii	Others
BXGF05957	Artocarpus incisa	Artocarpus incisa	Medicinal Plant
BXGF05982	Ligularia nelumbifolia	Ligularia nelumbifolia	Medicinal Plant
BXGF06057	Berberis oblonga	Berberis oblonga	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}