Showing entry for Scopolamine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0031080
Compound NameScopolamine
Structure
FormulaC17H21NO4
InchiKeySTECJAGHUSJQJN-UHFFFAOYSA-N
SMILESOCC(c1ccccc1)C(=O)OC1CC2N(C(C1)C1C2O1)C
InchiInChI=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
IUPAC
Molecular Weight303.15
Pubchem Id5184
Chembl IdCHEMBL13030
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 50015720
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 BXGT009534 Histamine H1 receptor reviewed Hrh1 >10000 - - -
reviewed BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 1.1 - - -
reviewed BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 0.44 - - -
reviewed BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 2 - - -
reviewed BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 0.44 - - -
reviewed BXGT006738 Muscarinic acetylcholine receptor M4 reviewed G-protein coupled receptor CHRM4 0.8 - - -
reviewed BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 2.07 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 0.8 - - -
reviewed BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed Sigmar1 >10000 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 7 - - -
reviewed BXGT008440 D(1A) dopamine receptor reviewed Drd1 >10000 - - -
reviewed BXGT011367 D(2) dopamine receptor reviewed Drd2 >10000 - - -
reviewed BXGT006775 Muscarinic acetylcholine receptor M1 reviewed Chrm1 0.19 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 1.41 - - -
reviewed BXGT006776 Muscarinic acetylcholine receptor M3 reviewed Chrm3 0.18 - - -
reviewed BXGT008290 Muscarinic acetylcholine receptor M4 reviewed CHRM4 0.93 - - -
reviewed BXGT006777 Muscarinic acetylcholine receptor M4 reviewed Chrm4 0.14 - - -
CHEMBL CHEMBL13030
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
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 - - -
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 39810 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 7079 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00101 Flaxseed Linum usitatissimum Herbs and Spices
BXGF00925 Scopolia carniolica Scopolia carniolica Medicinal Plant
BXGF02243 Scopolia parviflora Scopolia parviflora Medicinal Plant
BXGF02754 Hyoscyamus niger Hyoscyamus niger Medicinal Plant
BXGF03902 Datura metel Datura metel Medicinal Plant
BXGF04135 Atropa belladonna Atropa belladonna Medicinal Plant
BXGF05172 Scopolia japonica Scopolia japonica Medicinal Plant
BXGF05659 Datura stramonium Datura stramonium 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