acompound

Showing entry for N,N-Dimethyl-2-Naphtho[2,1-G][1,3]Benzodioxol-5-Ylethanamine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0018547
Compound Name	N,N-Dimethyl-2-Naphtho[2,1-G][1,3]Benzodioxol-5-Ylethanamine
Structure
Formula	C19H19NO2
InchiKey	FXTBDJZGDJJCQU-UHFFFAOYSA-N
SMILES	CN(CCc1cc2OCOc2c2c1ccc1c2cccc1)C
Inchi	InChI=1S/C19H19NO2/c1-20(2)10-9-14-11-17-19(22-12-21-17)18-15-6-4-3-5-13(15)7-8-16(14)18/h3-8,11H,9-10,12H2,1-2H3
IUPAC	N,N-dimethyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine
Molecular Weight	293.14
Pubchem Id	161379
Chembl Id	CHEMBL492418

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	BXGT010750	Glycogen synthase kinase-3 beta	reviewed	Kinase	GSK3B	-	-	-	25900
reviewed	BXGT009104	DNA (cytosine-5)-methyltransferase 1	reviewed	Epigenetic regulator	DNMT1	-	>99000	-	-
reviewed	BXGT006513	DNA polymerase	reviewed		POL	-	5400	-	-

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
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	39810	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	17782	nM
O97447	BXGT005436	Putative fructose-1,6-bisphosphate aldolase	unreviewed	-	ald	Potency	'='	7062	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	12589	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	39810	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	1258	nM
P06856	BXGT006513	DNA polymerase	reviewed	-	POL	IC50	'='	5400	nM
P18901	BXGT008440	D(1A) dopamine receptor	reviewed	-	Drd1	Ki	'='	4140	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	28183	nM
P61169	BXGT011367	D(2) dopamine receptor	reviewed	-	Drd2	Ki	'='	66	nM
P61169	BXGT011367	D(2) dopamine receptor	reviewed	-	Drd2	Ki	'='	64	nM
P18901	BXGT008440	D(1A) dopamine receptor	reviewed	-	Drd1	Ki	'='	6347	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	22387	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00074	Cardamom	Elettaria cardamomum	Herbs and Spices
BXGF01236	Anaxagorea luzonensis	Anaxagorea luzonensis	Medicinal Plant
BXGF01326	Argyreia nervosa	Argyreia nervosa	Medicinal Plant
BXGF01377	Erythrina chiriquensis	Erythrina chiriquensis	Others
BXGF01476	Stephania tetrandra	Stephania tetrandra	Medicinal Plant
BXGF01911	Bupleurum scorzonerifolium	Bupleurum scorzonerifolium	Medicinal Plant
BXGF02022	Croton regelianus	Croton regelianus	Others
BXGF03315	Magnolia coco	Magnolia coco	Others
BXGF03456	Phelipanche arenaria	Phelipanche arenaria	Others
BXGF04334	Carapichea ipecacuanha	Carapichea ipecacuanha	Medicinal Plant
BXGF04560	Lathyrus aphaca	Lathyrus aphaca	Medicinal Plant
BXGF05007	Melianthus major	Melianthus major	Medicinal Plant
BXGF05533	Acronychia muelleri	Acronychia muelleri	Others
BXGF05860	Phoradendron reichenbachianum	Phoradendron reichenbachianum	Medicinal Plant
BXGF06187	Stephania delavayi	Stephania delavayi	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}