Showing entry for Endo-Atropine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0051660
Compound NameEndo-Atropine
Structure
FormulaC17H23NO3
InchiKeyRKUNBYITZUJHSG-VFSICIBPSA-N
SMILESOC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C
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/t13-,14+,15?,16-/m1/s1
IUPAC[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Molecular Weight289.17
Pubchem Id154417
Chembl IdCHEMBL2449003
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 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 CHEMBL2449003
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
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 Inhibition - - -
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Inhibition - - -
P20309 BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 Ki '=' 0 nM
P08172 BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 Ki '=' 12 nM
P08482 BXGT006775 Muscarinic acetylcholine receptor M1 reviewed - Chrm1 Ki '=' 0 nM
P08483 BXGT006776 Muscarinic acetylcholine receptor M3 reviewed - Chrm3 Ki '=' 0 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 1412 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 19952 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 19952 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 9 nM
P08485 BXGT006777 Muscarinic acetylcholine receptor M4 reviewed - Chrm4 Ki '=' 0 nM
P08911 BXGT006839 Muscarinic acetylcholine receptor M5 reviewed - Chrm5 Ki '=' 1 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 1995 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Inhibition - - -
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Potency - 12589 nM
P08912 BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 Ki '=' 3 nM
P08912 BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 Ki '=' 0 nM
P15289 BXGT008102 Arylsulfatase A reviewed Enzyme ARSA Potency - 2393 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 39810 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 5011 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 35481 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 14125 nM
P11229 BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 Ki '=' 0 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Inhibition - - -
P10980 BXGT007641 Muscarinic acetylcholine receptor M2 reviewed - Chrm2 Ki '=' 2 nM
P20309 BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 Ki '=' 0 nM
P08172 BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 Ki '=' 5 nM
P08912 BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 Ki '=' 0 nM
P08912 BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 Ki '=' 0 nM
P08172 BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 Ki '=' 4 nM
P08172 BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 Ki '=' 2 nM
P08172 BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 Ki '=' 3 nM
P08172 BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 Inhibition - - -
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Ratio IC50 '<' 2 -
P11229 BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 Ki '=' 0 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 8912 nM
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
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
BXGF04169 Anisodus tanguticus Anisodus tanguticus 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