acompound

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

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0048241
Compound Name	4-[(6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinolin-1-Yl)Methyl]Phenol
Structure
Formula	C18H21NO3
InchiKey	NKBBUUNAVOMVER-UHFFFAOYSA-N
SMILES	COc1cc2C(NCCc2cc1OC)Cc1ccc(cc1)O
Inchi	InChI=1S/C18H21NO3/c1-21-17-10-13-7-8-19-16(15(13)11-18(17)22-2)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,19-20H,7-9H2,1-2H3
IUPAC	4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol
Molecular Weight	299.15
Pubchem Id	317405
Chembl Id	CHEMBL510363

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	BXGT011959	Cholinesterase	reviewed		BCHE	-	39700	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	>100000	-	-
reviewed	BXGT006430	Cholinesterase	reviewed		BCHE	-	46770	-	-
reviewed	BXGT004559	Acetylcholinesterase	reviewed		ache	-	>100000	-	-

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
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	4610	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	5623	nM
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	707	nM
Q194T2	BXGT013743	Non-structural protein 1	unreviewed	-	NS1	Potency	'='	22387	nM
P27732	BXGT009204	Voltage-dependent L-type calcium channel subunit alpha-1D	reviewed	-	Cacna1d	pKi	-	-	-
Q02485	BXGT012654	Voltage-dependent L-type calcium channel subunit alpha-1S	reviewed	-	Cacna1s	pKi	-	-	-
P22002	BXGT008717	Voltage-dependent L-type calcium channel subunit alpha-1C	reviewed	-	Cacna1c	pKi	-	-	-
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	IC50	'='	39700	nM
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Inhibition	'='	36	%
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	517	nM
P43140	BXGT010360	Alpha-1A adrenergic receptor	reviewed	-	Adra1a	Ki	'='	5888	nM
P23944	BXGT008930	Alpha-1D adrenergic receptor	reviewed	-	Adra1d	Ki	'='	5888	nM
P15823	BXGT008160	Alpha-1B adrenergic receptor	reviewed	-	Adra1b	Ki	'='	5888	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'>'	100000	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	'>'	100000	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	20596	nM
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	IC50	'='	46770	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
BXGF00962	Machilus thunbergii	Machilus thunbergii	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}