rotigotine   Click here for help

GtoPdb Ligand ID: 941

Synonyms: Leganto® | N-0437 | Neupro®
Approved drug
rotigotine is an approved drug (EMA (2006), FDA (2007))
Compound class: Synthetic organic
Comment: Rotigotine is a non-ergoline type, dopamine receptor agonist drug. At clinical doses rotigotine acts somewhat selectively for D1-like (D1, D5) and D2-like (D2, D3, D4) receptors. α2B-adrenergic and 5-HT1A activity may also provide some clinical benefit.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 51.71
Molecular weight 315.17
XLogP 3.48
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCN(C1CCc2c(C1)cccc2O)CCc1cccs1
Isomeric SMILES CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1
InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1
InChI Key KFQYTPMOWPVWEJ-INIZCTEOSA-N
No information available.
Summary of Clinical Use Click here for help
Used in the treatment of Parkinson's disease and restless legs syndrome.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
Dopamine receptor agonist which works by mimicking the effect of neurotransmitter dopamine. Rotigotine is delivered continuously through the skin using patches.
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