rotigotine

Ligand id: 941

Name: rotigotine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 51.71
Molecular weight 315.17
XLogP 4.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (EMA (2006), FDA (2007))
IUPAC Name
(6S)-6-(propyl-(2-thiophen-2-ylethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
International Nonproprietary Names
INN number INN
7897 rotigotine
Synonyms
Leganto® | N-0437 | Neupro®
Database Links
BindingDB Ligand 50054062
CAS Registry No. 99755-59-6 (source: Scifinder)
ChEMBL Ligand CHEMBL1303
DrugBank Ligand DB05271
PubChem CID 59227
Search Google for chemical match using the InChIKey KFQYTPMOWPVWEJ-INIZCTEOSA-N
Search Google for chemicals with the same backbone KFQYTPMOWPVWEJ
Search PubMed clinical trials rotigotine
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Search UniChem for chemical match using the InChIKey KFQYTPMOWPVWEJ-INIZCTEOSA-N
Search UniChem for chemicals with the same backbone KFQYTPMOWPVWEJ
Wikipedia Rotigotine
Comments
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.