acompound

Showing entry for Scopolamine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043587
Compound Name	Scopolamine
Structure
Formula	C17H21NO4
InchiKey	STECJAGHUSJQJN-FWXGHANASA-N
SMILES	OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C
Inchi	InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1
IUPAC
Molecular Weight	303.15
Pubchem Id
Chembl Id	CHEMBL569713

Targets of Information Source

DrugBank

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
P11229	BXGT007676	Muscarinic acetylcholine receptor M1	reviewed	G-protein coupled receptor	CHRM1	approved; investigational	antagonist
P14410	BXGT008009	Sucrase-isomaltase, intestinal	reviewed	Enzyme	SI	approved; investigational	inhibitor
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	approved; investigational	antagonist
P20309	BXGT008562	Muscarinic acetylcholine receptor M3	reviewed	G-protein coupled receptor	CHRM3	approved; investigational	antagonist
P08173	BXGT006738	Muscarinic acetylcholine receptor M4	reviewed	G-protein coupled receptor	CHRM4	approved; investigational	antagonist
P08912	BXGT006840	Muscarinic acetylcholine receptor M5	reviewed	G-protein coupled receptor	CHRM5	approved; investigational	antagonist
P43681	BXGT010407	Neuronal acetylcholine receptor subunit alpha-4	reviewed	Ion channel	CHRNA4	approved; investigational	-
P17787	BXGT008341	Neuronal acetylcholine receptor subunit beta-2	reviewed	Ion channel	CHRNB2	approved; investigational	-

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
O95342	BXGT005373	Bile salt export pump	reviewed	Transporter	ABCB11	IC50	'>'	1000000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00925	Scopolia carniolica	Scopolia carniolica	Medicinal Plant
BXGF01529	Rhamnus davurica	Rhamnus davurica	Medicinal Plant
BXGF02285	Viscum articulatum	Viscum articulatum	Medicinal Plant
BXGF03255	Datura inoxia	Datura inoxia	Medicinal Plant
BXGF05800	Mimosa pudica	Mimosa pudica	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}