ROPINIROLE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII D7ZD41RZI9
EPA CompTox DTXSID50238533
Parent Compound: ROPINIROLE

Structure

InChI Key XDXHAEQXIBQUEZ-UHFFFAOYSA-N
Smiles CCCN(CCC)CCc1cccc2c1CC(=O)N2.Cl
InChI
InChI=1S/C16H24N2O.ClH/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);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H25ClN2O
Molecular Weight 296.84
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

Mechanism of Action Action Reference
D2-like dopamine receptor agonist AGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 63.07-77.97
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 63.07-77.97

Cross References

Resources Reference
ChEBI 8889
ChEMBL CHEMBL1200411
FDA SRS D7ZD41RZI9
Guide to Pharmacology 7295
KEGG C07564
PubChem 68727
SureChEMBL SCHEMBL40760
ZINC ZINC00002041
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