Compound Detail
CHEMBL531
PERGOLIDE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL531 |
| Name | PERGOLIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | YEHCICAEULNIGD-MZMPZRCHSA-N |
| Therapeutic | ✓ Yes |
32
Targets
92
Activities
4
Assay Types
3
PK Parameters
20
Publications
2
Known Names
3
Indications
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| Availability | Withdrawn |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 |
Indications
Parkinson Disease Cocaine-Related Disorders Substance-Related Disorders
ATC Classification
N04BC02
pergolide
Level 1: NERVOUS SYSTEM
Level 2: ANTI-PARKINSON DRUGS
Drug Warnings
Withdrawn
cardiotoxicity
Valvulopathy
Activity Summary
IC50 45 meas. best 8.8
Ki 38 meas. best 9.21
EC50 5 meas. best 9.45
Kd 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 9.45 | 9.45 | 0.4 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 9.21 | 7.9871 | 0.6 | 7 |
| D(3) dopamine receptor CHEMBL234 | Ki | 9.07 | 8.6525 | 0.9 | 4 |
| D(2) dopamine receptor CHEMBL339 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 8.8 | 7.9533 | 1.6 | 3 |
| Dopamine receptor CHEMBL2093868 | IC50 | 8.8 | 8.306 | 1.6 | 5 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.74 | 8.46 | 1.8 | 3 |
| D(3) dopamine receptor CHEMBL3138 | IC50 | 8.62 | 8.455 | 2.4 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.41 | 7.995 | 3.9 | 2 |
| D(2) dopamine receptor CHEMBL339 | Kd | 8.4 | 7.6675 | 4.0 | 4 |
| Dopamine receptor D2 and D3 CHEMBL2111342 | EC50 | 8.37 | 8.37 | 4.3 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
| Dopamine receptor D2 and D3 CHEMBL2111342 | IC50 | 8.25 | 8.24 | 5.6 | 2 |
| D(4) dopamine receptor CHEMBL219 | Ki | 8.21 | 8.21 | 6.2 | 1 |
| D(2) dopamine receptor CHEMBL339 | EC50 | 8.11 | 8.11 | 7.9 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.07 | 8.07 | 8.5 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 8.05 | 8.05 | 8.9 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Dopamine receptor CHEMBL2096970 | IC50 | 7.75 | 7.295 | 18.0 | 2 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.75 | 6.23 | 18.0 | 6 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Cerebral cortex alpha adrenergic receptor CHEMBL2111420 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 7.39 | 7.08 | 41.0 | 2 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 7.33 | 7.165 | 47.0 | 2 |
| D(2) dopamine receptor CHEMBL3998 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.31 | 7.31 | 49.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 6.96 | 6.96 | 111.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.92 | 6.92 | 120.2 | 1 |
| Serotonin (5-HT) receptor CHEMBL2094123 | IC50 | 6.85 | 6.635 | 140.0 | 2 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.7 | 6.7 | 199.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.69 | 6.69 | 205.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 6.66 | 6.66 | 218.8 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 6.58 | 6.58 | 264.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.47 | 6.0333 | 339.0 | 3 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.42 | 6.42 | 379.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 6.17 | 6.17 | 679.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.13 | 6.13 | 744.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 6.11 | 6.11 | 781.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.05 | 5.7675 | 887.0 | 4 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.05 | 6.05 | 888.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 5.85 | 5.85 | 1410.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 55.0 | % | Mus musculus |
| Fu | 0.027 | - | Rattus norvegicus |
| T1/2 | 2.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine