acompound

Showing entry for 4-[(6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-1-Yl)Methyl]Phenol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0024245
Compound Name	4-[(6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-1-Yl)Methyl]Phenol
Structure
Formula	C19H23NO3
InchiKey	ZBKFZIUKXTWQTP-UHFFFAOYSA-N
SMILES	COc1cc2c(cc1OC)CCN(C2Cc1ccc(cc1)O)C
Inchi	InChI=1S/C19H23NO3/c1-20-9-8-14-11-18(22-2)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3
IUPAC	4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol
Molecular Weight	313.17
Pubchem Id	98348
Chembl Id	CHEMBL451722

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

n.a

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

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
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	31622	nM
P43140	BXGT010360	Alpha-1A adrenergic receptor	reviewed	-	Adra1a	Ki	'='	7244	nM
P23944	BXGT008930	Alpha-1D adrenergic receptor	reviewed	-	Adra1d	Ki	'='	7244	nM
P15823	BXGT008160	Alpha-1B adrenergic receptor	reviewed	-	Adra1b	Ki	'='	7244	nM
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	Potency	'='	25118	nM
P27732	BXGT009204	Voltage-dependent L-type calcium channel subunit alpha-1D	reviewed	-	Cacna1d	Ki	'='	9549	nM
Q02485	BXGT012654	Voltage-dependent L-type calcium channel subunit alpha-1S	reviewed	-	Cacna1s	Ki	'='	9549	nM
P22002	BXGT008717	Voltage-dependent L-type calcium channel subunit alpha-1C	reviewed	-	Cacna1c	Ki	'='	9549	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	39810	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	50118	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	44668	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	5623	nM
O94925	BXGT005342	Glutaminase kidney isoform, mitochondrial	reviewed	Enzyme	GLS	Potency	-	19952	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF04956	Rhamnus frangula	Rhamnus frangula	Medicinal Plant
BXGF05486	Papaver persicum	Papaver persicum	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}