acompound

Showing entry for 3,9-Dimethoxy-5,8,13,13A-Tetrahydro-6H-Isoquino[3,2-A]Isoquinoline-2,10-Diol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0013746
Compound Name	3,9-Dimethoxy-5,8,13,13A-Tetrahydro-6H-Isoquino[3,2-A]Isoquinoline-2,10-Diol
Structure
Formula	C19H21NO4
InchiKey	JKPISQIIWUONPB-UHFFFAOYSA-N
SMILES	COc1cc2CCN3C(c2cc1O)Cc1c(C3)c(OC)c(cc1)O
Inchi	InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3
IUPAC	3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
Molecular Weight	327.15
Pubchem Id	5290
Chembl Id	CHEMBL595489

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	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	269	-	-	-
reviewed	BXGT009835	D(3) dopamine receptor	reviewed	G-protein coupled receptor	DRD3	101	-	-	-
reviewed	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	116	-	-	-
reviewed	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	5.6	-	-	-

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
P14416	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	Ki	'='	115	nM
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Ki	'='	5	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	269	nM
P35462	BXGT009835	D(3) dopamine receptor	reviewed	G-protein coupled receptor	DRD3	Ki	'='	101	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03640	Fibraurea recisa	Fibraurea recisa	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}