acompound

Showing entry for 6-Methyl-7,8-Dihydro-5H-[1,3]Dioxolo[4,5-G]Isoquinoline

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0049630
Compound Name	6-Methyl-7,8-Dihydro-5H-[1,3]Dioxolo[4,5-G]Isoquinoline
Structure
Formula	C11H13NO2
InchiKey	XNZFFRJWTVYMBF-UHFFFAOYSA-N
SMILES	CN1CCc2c(C1)cc1c(c2)OCO1
Inchi	InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3
IUPAC	6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Molecular Weight	191.09
Pubchem Id	22301
Chembl Id	CHEMBL2140445

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	1700	-	-	-
reviewed	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed		Chrna4	50000	-	-	-
reviewed	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed		Chrna3	300000	-	-	-
reviewed	BXGT020309	Neuronal acetylcholine receptor subunit beta-2	reviewed		Chrnb2	-	2600	-	-
reviewed	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed		Chrna3	-	300000	-	-

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
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	1000	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
P12390	BXGT007810	Neuronal acetylcholine receptor subunit beta-2	reviewed	-	Chrnb2	Ki	'='	1700	nM
P09483	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed	-	Chrna4	Ki	'='	1700	nM
P12390	BXGT007810	Neuronal acetylcholine receptor subunit beta-2	reviewed	-	Chrnb2	Inhibition	-	-	-
P09483	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed	-	Chrna4	Inhibition	-	-	-
P12392	BXGT007812	Neuronal acetylcholine receptor subunit beta-4	reviewed	-	Chrnb4	IC50	'='	300000	nM
P04757	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed	-	Chrna3	IC50	'='	300000	nM
P12392	BXGT007812	Neuronal acetylcholine receptor subunit beta-4	reviewed	-	Chrnb4	Ki	'='	50000	nM
P09483	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed	-	Chrna4	Ki	'='	50000	nM
P12390	BXGT007810	Neuronal acetylcholine receptor subunit beta-2	reviewed	-	Chrnb2	Ki	'='	17000	nM
P09483	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed	-	Chrna4	Ki	'='	17000	nM
Q8R493	BXGT018685	Neuronal acetylcholine receptor subunit beta-4	reviewed	-	Chrnb4	IC50	'='	2600	nM
Q9ERK7	BXGT020309	Neuronal acetylcholine receptor subunit beta-2	reviewed	-	Chrnb2	IC50	'='	2600	nM
P36544	BXGT009926	Neuronal acetylcholine receptor subunit alpha-7	reviewed	-	CHRNA7	EC50	'>'	100000	nM
P36544	BXGT009926	Neuronal acetylcholine receptor subunit alpha-7	reviewed	-	CHRNA7	IC50	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04761	Corydalis tuberosa	Corydalis tuberosa	Medicinal Plant
BXGF04808	Dovyalis hebecarpa	Dovyalis hebecarpa	Human Edible Plant
BXGF04841	Lycopodium chinense	Lycopodium chinense	Others
BXGF04852	Ixeris repens	Ixeris repens	Medicinal Plant
BXGF04883	Eremophila oppositifolia	Eremophila oppositifolia	Others
BXGF04894	Taxillus yadoriki	Taxillus yadoriki	Others

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}