PERGOLIDE MESYLATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1988) Withdrawn (2007)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 55B9HQY616
Parent Compound: PERGOLIDE

Structure
InChI Key UWCVGPLTGZWHGS-ZORIOUSZSA-N
Smile CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O
InChI
InChI=1S/C19H26N2S.CH4O3S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21;1-5(2,3)4/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3;1H3,(H,2,3,4)/t13-,16-,18-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H30N2O3S2
Molecular Weight 410.61
AlogP 4.27
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 19.03
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Dopamine receptor agonist DailyMed
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
- 50 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 85

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
41.94
Cardiac disorders
12.9
Eye disorders
12.9
Gastrointestinal disorders
9.68
Injury, poisoning and procedural complications
6.45
Respiratory, thoracic and mediastinal disorders
6.45
Nervous system disorders
3.23
Pregnancy, puerperium and perinatal conditions
3.23
Vascular disorders
3.23

Cross References

Resources Reference
ChEBI 8021
ChEMBL CHEMBL1275
EPA CompTox DTXSID6040583
FDA SRS 55B9HQY616
Guide to Pharmacology 48
KEGG C07425
PubChem 47812
SureChEMBL SCHEMBL26920
ZINC ZINC03786466
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