timolol   Click here for help

GtoPdb Ligand ID: 565

Synonyms: Timoptic®
Approved drug PDB Ligand
timolol is an approved drug (FDA (1981))
Compound class: Synthetic organic
Comment: Marketed formulations may contain timolol maleate (PubChem CID 5281056).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 107.98
Molecular weight 316.16
XLogP 1.28
No. Lipinski's rules broken 0
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Canonical SMILES OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C
Isomeric SMILES O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C
InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
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Summary of Clinical Use Click here for help
Timolol is available clinically in two forms: an oral form, which is used to treat hight blood pressure and in the prevention of heart attacks, and an opthalmic formulation which is used to treat open angle and secondary glaucoma.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
β1 and β2 adrenoceptor antagonist. Blockade of β1 receptors results in a decrease in systolic and diastolic blood pressure, while β2 blockade results in an increase in peripheral vascular resistance.
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