Showing entry for Atropine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002852
Compound NameAtropine
Structure
FormulaC17H23NO3
InchiKeyRKUNBYITZUJHSG-UHFFFAOYSA-N
SMILESCN1C2CCC1CC(C2)OC(=O)C(CO)C1=CC=CC=C1
InchiInChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
IUPAC(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate
Molecular Weight289.37
Pubchem Id3661
Chembl IdCHEMBL9751
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 86231
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 BXGT010360 Alpha-1A adrenergic receptor reviewed Adra1a >60000 - - -
reviewed BXGT010360 Alpha-1A adrenergic receptor reviewed Adra1a 660 - - -
reviewed BXGT009534 Histamine H1 receptor reviewed Hrh1 2000 - - -
reviewed BXGT006775 Muscarinic acetylcholine receptor M1 reviewed Chrm1 0.53 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 1.5 - - -
reviewed BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 0.9 - - -
reviewed BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 1.1 - - -
reviewed BXGT006738 Muscarinic acetylcholine receptor M4 reviewed G-protein coupled receptor CHRM4 0.6 - - -
reviewed BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 1.7 - - -
reviewed BXGT006775 Muscarinic acetylcholine receptor M1 reviewed Chrm1 0.52 - - -
reviewed BXGT006777 Muscarinic acetylcholine receptor M4 reviewed Chrm4 1.1 - - -
reviewed BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 0.51 - - -
reviewed BXGT019575 D(1A) dopamine receptor reviewed DRD1 >10000 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 0.99 - - -
reviewed BXGT006775 Muscarinic acetylcholine receptor M1 reviewed Chrm1 0.32 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 0.79 - - -
reviewed BXGT006776 Muscarinic acetylcholine receptor M3 reviewed Chrm3 0.4 - - -
reviewed BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 0.29 - - -
reviewed BXGT006775 Muscarinic acetylcholine receptor M1 reviewed Chrm1 0.55 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 1.64 - - -
reviewed BXGT006775 Muscarinic acetylcholine receptor M1 reviewed Chrm1 0.21 - - -
reviewed BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 1.5 - - -
reviewed BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 0.15 - - -
reviewed BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 0.21 - - -
reviewed BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 0.28 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 0.78 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 1.41 - - -
reviewed BXGT006420 Muscarinic acetylcholine receptor M2 reviewed CHRM2 0.39 - - -
reviewed BXGT006420 Muscarinic acetylcholine receptor M2 reviewed CHRM2 0.68 - - -
reviewed BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 2.38 - - -
reviewed BXGT019577 Beta-arrestin-1 reviewed ARRB1 0.18 - - -
reviewed BXGT019577 Beta-arrestin-1 reviewed ARRB1 6.8 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 1 - - -
reviewed BXGT009821 Histamine H1 receptor reviewed G-protein coupled receptor HRH1 1600 - - -
reviewed BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 2.4 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 21 - - -
reviewed BXGT006775 Muscarinic acetylcholine receptor M1 reviewed Chrm1 0.28 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 0.98 - - -
reviewed BXGT006776 Muscarinic acetylcholine receptor M3 reviewed Chrm3 0.31 - - -
reviewed BXGT008290 Muscarinic acetylcholine receptor M4 reviewed CHRM4 0.71 - - -
reviewed BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 1.96 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 >10000 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 0.08 - - -
reviewed BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 0.63 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 0.87 - - -
reviewed BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 0.7 - - -
reviewed BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 1 - - -
reviewed BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 0.1 - - -
reviewed BXGT006738 Muscarinic acetylcholine receptor M4 reviewed G-protein coupled receptor CHRM4 1 - - -
reviewed BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 0.4 - - -
reviewed BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 0.8 - - -
reviewed BXGT006738 Muscarinic acetylcholine receptor M4 reviewed G-protein coupled receptor CHRM4 0.3 - - -
reviewed BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 0.5 - - -
reviewed BXGT006776 Muscarinic acetylcholine receptor M3 reviewed Chrm3 1 - - -
reviewed BXGT006776 Muscarinic acetylcholine receptor M3 reviewed Chrm3 2.1 - - -
reviewed BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 0.25 - - -
reviewed BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 0.5 - - -
reviewed BXGT006738 Muscarinic acetylcholine receptor M4 reviewed G-protein coupled receptor CHRM4 0.34 - - -
reviewed BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 0.54 - - -
reviewed BXGT006775 Muscarinic acetylcholine receptor M1 reviewed Chrm1 1 - - -
reviewed BXGT006776 Muscarinic acetylcholine receptor M3 reviewed Chrm3 2 - - -
reviewed BXGT007641 Muscarinic acetylcholine receptor M2 reviewed Chrm2 7600 - - -
reviewed BXGT006420 Muscarinic acetylcholine receptor M2 reviewed CHRM2 1.7 - - -
reviewed BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 1.1 - - -
reviewed BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 0.2 - - -
reviewed BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 0.2 - - -
reviewed BXGT006738 Muscarinic acetylcholine receptor M4 reviewed G-protein coupled receptor CHRM4 0.1 - - -
reviewed BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 0.6 - - -
reviewed BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 - 3.2 - -
CHEMBL CHEMBL9751
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
P20309 BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 IC50 '=' 3 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00017 Burdock Arctium lappa Vegetables
BXGF00101 Flaxseed Linum usitatissimum Herbs and Spices
BXGF00925 Scopolia carniolica Scopolia carniolica Medicinal Plant
BXGF01752 Corydalis decumbens Corydalis decumbens Medicinal Plant
BXGF02243 Scopolia parviflora Scopolia parviflora Medicinal Plant
BXGF02567 Lycium chinense Lycium chinense Medicinal Plant
BXGF02754 Hyoscyamus niger Hyoscyamus niger Medicinal Plant
BXGF03255 Datura inoxia Datura inoxia Medicinal Plant
BXGF03645 Lycium barbarum Lycium barbarum 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