Compound Detail
CHEMBL1065
METHYSERGIDE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1065 |
| Name | METHYSERGIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | KPJZHOPZRAFDTN-ZRGWGRIASA-N |
| Therapeutic | ✓ Yes |
21
Targets
52
Activities
2
Assay Types
1
PK Parameters
20
Publications
3
Known Names
1
Indications
Molecular Properties
353.5
MW (Da)
1.94
ALogP
4
HBA
2
HBD
57.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1962 |
| Availability | Discontinued |
| Chirality | Single Enantiomer |
Indications
Migraine Disorders
ATC Classification
N02CA04
methysergide
Level 1: NERVOUS SYSTEM
Level 2: ANALGESICS
Activity Summary
Ki 31 meas. best 9.45
IC50 21 meas. best 9.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 9.45 | 8.5633 | 0.4 | 3 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 9.25 | 9.25 | 0.6 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.96 | 8.78 | 1.1 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.84 | 8.78 | 1.4 | 3 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 8.84 | 8.56 | 1.4 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.8 | 8.4067 | 1.6 | 3 |
| Rattus norvegicus CHEMBL376 | Ki | 8.72 | 8.445 | 1.9 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.24 | 7.104 | 5.7 | 5 |
| Rattus norvegicus CHEMBL376 | IC50 | 8.13 | 8.0 | 7.4 | 2 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.9 | 7.5 | 12.6 | 2 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.7 | 6.25 | 20.0 | 3 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.23 | 7.23 | 59.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.12 | 7.12 | 75.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 6.97 | 6.97 | 108.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 6.79 | 6.79 | 162.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 6.76 | 6.76 | 172.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 6.75 | 6.75 | 177.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.57 | 6.57 | 269.0 | 1 |
| Plasmodium berghei CHEMBL612653 | IC50 | 6.45 | 6.45 | 356.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.33 | 6.33 | 472.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.21 | 6.21 | 611.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 6.09 | 6.09 | 807.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 6.04 | 6.04 | 912.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 6.03 | 6.03 | 943.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 5.79 | 5.79 | 1631.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 5.66 | 5.66 | 2175.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 5.32 | 5.32 | 4763.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.48 | 4.48 | 33070.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 13.0 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine