acompound

Showing entry for Isopiline

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0022524
Compound Name	Isopiline
Structure
Formula	C18H19NO3
InchiKey	XLXSXOHBVGWKMT-CYBMUJFWSA-N
SMILES	COc1c(O)c2c3ccccc3C[C@@H]3c2c(c1OC)CCN3
Inchi	InChI=1S/C18H19NO3/c1-21-17-12-7-8-19-13-9-10-5-3-4-6-11(10)15(14(12)13)16(20)18(17)22-2/h3-6,13,19-20H,7-9H2,1-2H3/t13-/m1/s1
IUPAC	(6aR)-2,3-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-ol
Molecular Weight	297.14
Pubchem Id	13891896
Chembl Id	CHEMBL508011

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	BXGT008936	Sodium-dependent dopamine transporter	reviewed		Slc6a3	-	2500	-	-
reviewed	BXGT008440	D(1A) dopamine receptor	reviewed		Drd1	-	9800	-	-
reviewed	BXGT011367	D(2) dopamine receptor	reviewed		Drd2	-	30000	-	-

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
P23977	BXGT008936	Sodium-dependent dopamine transporter	reviewed	-	Slc6a3	IC50	'='	2500	nM
P18901	BXGT008440	D(1A) dopamine receptor	reviewed	-	Drd1	IC50	'='	9800	nM
P61169	BXGT011367	D(2) dopamine receptor	reviewed	-	Drd2	IC50	'='	30000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00891	Artabotrys uncinatus	Artabotrys uncinatus	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}