ROPINIROLE

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Synonyms
Status
Molecule Category Free-form
ATC N04BC04
UNII 030PYR8953
EPA CompTox DTXSID8045195

Structure

InChI Key UHSKFQJFRQCDBE-UHFFFAOYSA-N
Smiles CCCN(CCC)CCc1cccc2c1CC(=O)N2
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H24N2O
Molecular Weight 260.38
AlogP 2.85
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 32.34
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
3.89-330 56.1-985 - 2.9-691.83 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
4-330 - - 2.9-691.83 -
Oryctolagus cuniculus
100-100 - - - -
Rattus norvegicus
3.89-75.5 56.1-985 - 29.3-29.3 -

Cross References

Resources Reference
ChEBI 8888
ChEMBL CHEMBL589
DrugBank DB00268
DrugCentral 2402
FDA SRS 030PYR8953
Human Metabolome Database HMDB0014413
Guide to Pharmacology 7295
KEGG C07564
PharmGKB PA164749035
PubChem 5095
SureChEMBL SCHEMBL35212
ZINC ZINC000000002041
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