atropine   

GtoPdb Ligand ID: 320

Synonyms: Atropen® | hyoscyamine
atropine is an approved drug (FDA (1973))
Comment: Atropine is a muscarinic acetylcholine receptor (mAChR) antagonist.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 49.77
Molecular weight 289.17
XLogP 1.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)N2C
Isomeric SMILES OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C
InChI InChI=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?
InChI Key RKUNBYITZUJHSG-SPUOUPEWSA-N
No information available.
Summary of Clinical Use
Used in the treatment of poisoning by agents with cholinesterase activity and as an ophthalmic agent.
Mechanism Of Action and Pharmacodynamic Effects
Experimental evidence suggests that the myopia-inhibiting effects of atropine might be due to antagonism of α2-adrenoceptors rather than via antagonism of the M4 muscarinic acetylcholine receptor [2].