Molecule Details
InChIKeyKFQYTPMOWPVWEJ-INIZCTEOSA-N
Compound NameRotigotine
Canonical SMILESCCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.63
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB05271
Drug NameRotigotine
CAS Number99755-59-6
Groups approved investigational
ATC Codes N04BC09
DescriptionRotigotine (Neupro) is a non-ergoline dopamine agonist indicated for the treatment of Parkinson's disease (PD) and restless legs syndrome (RLS) in Europe and the United States. It is formulated as a once-daily transdermal patch which provides a slow and constant supply of the drug over the course of...

Categories: Agents that produce hypertension Anti-Parkinson Agents (Dopamine Agonist) Anti-Parkinson Drugs Antidepressive Agents Central Nervous System Depressants Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors (weak) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dopamine Agents Dopamine Agonists Hypotensive Agents Naphthalenes Nervous System Neurotransmitter Agents Nonergot-derivative Dopamine Receptor Agonists Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin 5-HT1 Receptor Agonists Serotonin Agents Serotonin Receptor Agonists Sulfur Compounds
Cross-references: BindingDB: 50123626 ChEBI: 135351 CHEMBL1303 ChemSpider: 53406 Drugs Product Database (DPD): 12548 Guide to Pharmacology: 941 IUPHAR: 941 D05768 PDB: R5F PharmGKB: PA166165149 PubChem:59227 PubChem:99443232 RxCUI: 616739 Wikipedia: Rotigotine ZINC: ZINC000000004028
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P14416 DRD2 Homo sapiens Human PF00001 10.2 Ki ChEMBL;BindingDB
P35462 DRD3 Homo sapiens Human PF00001 8.4 Ki ChEMBL;BindingDB
P21917 DRD4 Homo sapiens Human PF00001 7.3 Ki ChEMBL;BindingDB
DrugBank Target Actions (11)
Target Gene Target Name Action Type
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10635 CYP2D6 Cytochrome P450 2D6 substrate enzymes
P08908 HTR1A 5-hydroxytryptamine receptor 1A agonist targets
P14416 DRD2 D(2) dopamine receptor agonist targets
P21728 DRD1 D(1A) dopamine receptor agonist targets
P21917 DRD4 D(4) dopamine receptor agonist targets
P21918 DRD5 D(1B) dopamine receptor agonist targets
P35462 DRD3 D(3) dopamine receptor agonist targets
P18089 ADRA2B Alpha-2B adrenergic receptor antagonist targets