ropinirole   Click here for help

GtoPdb Ligand ID: 7295

Synonyms: Requip® | SK&F-101468-A | SK&F-101468A
Approved drug
ropinirole is an approved drug (FDA (1997), EMA (2006))
Compound class: Synthetic organic
Comment: Ropinirole is a dopamine agonist. This drug is active at the dopamine-D2 and -D3 receptor subtypes, both centrally and peripherally.
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View more information in the IUPHAR Pharmacology Education Project: ropinirole

2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 35.83
Molecular weight 260.19
XLogP 2.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCN(CCC)CCc1cccc2c1CC(=N2)O
Isomeric SMILES CCCN(CCC)CCc1cccc2c1CC(=N2)O
InChI InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
InChI Key UHSKFQJFRQCDBE-UHFFFAOYSA-N
References
1. Heier RF, Dolak LA, Duncan JN, Hyslop DK, Lipton MF, Martin IJ, Mauragis MA, Piercey MF, Nichols NF, Schreur PJ et al.. (1997)
Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites.
J. Med. Chem., 40 (5): 639-46. [PMID:9057850]