ROPINIROLE

Search structure
Synonyms:
Status: Approved (1997)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N04BC04
UNII: 030PYR8953

Structure
InChI Key UHSKFQJFRQCDBE-UHFFFAOYSA-N
Smile 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

Primary Target
D2 receptor
D3 receptor
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
30-330 56-985 - 3-61 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 1706 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 4 D010300 ClinicalTrials
Restless Legs Syndrome 3 D012148 ClinicalTrials
Stroke 2 D020521 ClinicalTrials
Cocaine-Related Disorders 2 D019970 ClinicalTrials
Fibromyalgia 2 D005356 ClinicalTrials
Hyperprolactinemia 1 D006966 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 91374-21-9
ChEBI 8888
ChEMBL CHEMBL589
DrugBank DB00268
DrugCentral 2402
EPA CompTox DTXSID8045195
FDA SRS 030PYR8953
Human Metabolome Database HMDB0014413
Guide to Pharmacology 7295
KEGG C07564
PharmGKB PA164749035
PubChem 5095
SureChEMBL SCHEMBL35212
ZINC ZINC000000002041
CONTENTS