acompound

Showing entry for O-Methylcorypalline

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0000195
Compound Name	O-Methylcorypalline
Structure
Formula	C12H17NO2
InchiKey	TXPPKWZEHFNZOE-UHFFFAOYSA-N
SMILES	COC1=CC2=C(CN(C)CC2)C=C1OC
Inchi	InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
IUPAC	6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
Molecular Weight	207.27
Pubchem Id	27694
Chembl Id	CHEMBL1196025

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	870	-	-	-
reviewed	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed		Chrna4	300000	-	-	-
reviewed	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed		Chrna3	300000	-	-	-
reviewed	BXGT020309	Neuronal acetylcholine receptor subunit beta-2	reviewed		Chrnb2	-	12000	-	-
reviewed	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed		Chrna3	-	100000	-	-
reviewed	BXGT009558	Sodium-dependent serotonin transporter	reviewed	Transporter	SLC6A4	46700	-	-	-
reviewed	BXGT012624	Sodium-dependent dopamine transporter	reviewed	Transporter	SLC6A3	>10000000	-	-	-
reviewed	BXGT008935	Sodium-dependent noradrenaline transporter	reviewed	Transporter	SLC6A2	128900	-	-	-
reviewed	BXGT008644	Amine oxidase [flavin-containing] A	reviewed		MAOA	27000	-	-	-
reviewed	BXGT009172	Amine oxidase [flavin-containing] B	reviewed		MAOB	29000	-	-	-

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
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	Ki	'='	29000	nM
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
P23975	BXGT008935	Sodium-dependent noradrenaline transporter	reviewed	Transporter	SLC6A2	Ki	'='	128900	nM
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	Ki	'='	27000	nM
P31645	BXGT009558	Sodium-dependent serotonin transporter	reviewed	Transporter	SLC6A4	Ki	'='	46700	nM
P12390	BXGT007810	Neuronal acetylcholine receptor subunit beta-2	reviewed	-	Chrnb2	Ki	'='	870	nM
P09483	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed	-	Chrna4	Ki	'='	870	nM
P09483	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed	-	Chrna4	Ki	'='	300000	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	'='	12000	nM
Q9ERK7	BXGT020309	Neuronal acetylcholine receptor subunit beta-2	reviewed	-	Chrnb2	IC50	'='	12000	nM
P36544	BXGT009926	Neuronal acetylcholine receptor subunit alpha-7	reviewed	-	CHRNA7	IC50	'>'	100000	nM
P12392	BXGT007812	Neuronal acetylcholine receptor subunit beta-4	reviewed	-	Chrnb4	IC50	'='	100000	nM
P04757	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed	-	Chrna3	IC50	'='	100000	nM
Q01959	BXGT012624	Sodium-dependent dopamine transporter	reviewed	Transporter	SLC6A3	Ki	'>'	10000000	nM
P36544	BXGT009926	Neuronal acetylcholine receptor subunit alpha-7	reviewed	-	CHRNA7	EC50	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF00813	Coffee and coffee products		Coffee and coffee products

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}