Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1275

PERGOLIDE MESYLATE
💊 Approved Drug
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
💊 Approved Drug
CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1275
Name PERGOLIDE MESYLATE
Phase Approved
Structure Type MOL
InChI Key UWCVGPLTGZWHGS-ZORIOUSZSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL531
Active Moiety CHEMBL531

Known Names

Celance LY 127809 LY-127809 NSC-319773 NSC-758442 Pergolide mesilate Pergolide mesylate Pergolide methanesulfonate Permax
4
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
9
Known Names
1
Mechanisms

Molecular Properties

314.5
MW (Da)
4.27
ALogP
2
HBA
1
HBD
19.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1988
Availability Withdrawn
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Withdrawn Natural Product
USAN Stem -erg-
USAN Year 1979

Extended Properties

Molecular Formula C20H30N2O3S2
MW 410.61
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.61

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Dopamine receptor agonist AGONIST Dopamine receptor ✓ ✓

Drug Warnings

Withdrawn
cardiotoxicity
Valvulopathy
Country: United States; Canada   Year: 2007
Withdrawn
cardiotoxicity
Risk for heart valve damage
Country: United States; Canada   Year: 2007

Activity Summary

IC50 10 meas. best 10.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 IC50 10.15 10.15 0.1 1
Dopamine receptor
CHEMBL2096970
 IC50 7.3 7.3 50.0 1
Dopamine receptor
CHEMBL2093868
 IC50 7.16 7.16 70.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.4 5.0714 3981.1 7

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 0.07 nM 10.15 Inhibitory activity against prolactin release in rat anterior pituitary cells 6834383
Dopamine receptor IC50 = 50.0 nM 7.3 In vitro binding affinity towards dopamine receptor was determined in bovine ant... 6834383
Dopamine receptor IC50 = 70.0 nM 7.16 In vitro binding affinity towards dopamine receptor was determined in rat striat... 6834383
Plasmodium falciparum IC50 = 3981.07 nM 5.4 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Plasmodium falciparum IC50 = 7943.28 nM 5.1 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 7943.28 nM 5.1 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... 19734910

Literature References

PubMed DOI Target Context # Activities
19734910 10.1038/nchembio.215 Plasmodium falciparum 7
6834383 10.1021/jm00358a012 Rattus norvegicus 5
6834383 10.1021/jm00358a012 Dopamine receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4513141 Staphylococcus aureus 1
- 10.6019/CHEMBL4513141 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513141 Escherichia coli 1
- 10.6019/CHEMBL4513141 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513141 Candida albicans 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 4 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 3 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 2 1
23956101 10.1093/toxsci/kft176 Bile salt export pump 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
17417631 10.1038/nchembio873 Unchecked 1
6834383 10.1021/jm00358a012 Mus musculus 1

Data from ChEMBL 36 via Core Engine