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methysergide 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| ergot alkaloid derivatives | 1775 | 361-37-5 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
An ergot derivative that is a congener of LYSERGIC ACID DIETHYLAMIDE. It antagonizes the effects of serotonin in blood vessels and gastrointestinal smooth muscle, but has few of the properties of other ergot alkaloids. Methysergide is used prophylactically in migraine and other vascular headaches and to antagonize serotonin in the carcinoid syndrome.
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
| Dose | Unit | Route |
|---|---|---|
| 4 | mg | O |
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Hosey CM, Chan R, Benet LZ |
| BA (Bioavailability) | 13 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| S (Water solubility) | 4.70 mg/mL | Bocci G, Oprea TI, Benet LZ |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 2.129 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 23.388 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 6.855 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 5.236 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 19.060 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 33.130 | % | High | 1 |
| herg | hERG pIC50 | 4.602 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 3.614 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 43.954 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 16.730 | % | High | 1 |
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK3,KDR,MAP2K6,MAPK10,MAPK7,MET,NTRK1,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,TEK,TGFBR1,ZAP70 | 37 | |||
| kinase-selectivity-class | AXL,EIF2AK3,MAP2K6 | 3 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 24.378 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 23.388 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 14.090 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 50.933 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 33.030 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 20.464 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 68.530 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 14.890 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 711.214 | uM | High | 1 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Feb. 12, 1962 | FDA |
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
None
FDA Adverse Event Reporting System (Geriatric)
None
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| ATC | N02CA04 | NERVOUS SYSTEM ANALGESICS ANTIMIGRAINE PREPARATIONS Ergot alkaloids |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D012702 | Serotonin Antagonists |
| MeSH PA | D014662 | Vasoconstrictor Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018490 | Serotonin Agents |
| CHEBI has role | CHEBI:48279 | serotonergic antagonist |
| CHEBI has role | CHEBI:50514 | vasoconstrictor agent |
| CHEBI has role | CHEBI:66991 | sympatholytic agent |
Related Drugs by ATC class:
N02CA Ergot alkaloids 3 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Migraine Prevention | indication |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.6 | acidic |
| pKa2 | 6.73 | Basic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | GPCR | AGONIST | Ki | 9.34 | SCIENTIFIC LITERATURE | IUPHAR | |||
| 5-hydroxytryptamine receptor 2C | GPCR | AGONIST | Ki | 8.34 | SCIENTIFIC LITERATURE | IUPHAR | |||
| D(3) dopamine receptor | GPCR | Ki | 7.23 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 1B | GPCR | ANTAGONIST | Ki | 7.60 | IUPHAR | ||||
| D(1A) dopamine receptor | GPCR | Ki | 6.33 | DRUG MATRIX | |||||
| D(2) dopamine receptor | GPCR | Ki | 6.57 | DRUG MATRIX | |||||
| Alpha-2A adrenergic receptor | GPCR | Ki | 6.21 | DRUG MATRIX | |||||
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | IC50 | 6.04 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | PARTIAL AGONIST | Ki | 7.51 | DRUG MATRIX | ||||
| 5-hydroxytryptamine receptor 6 | GPCR | ANTAGONIST | Ki | 6.80 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 7 | GPCR | ANTAGONIST | Ki | 7.80 | IUPHAR | ||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 5.66 | DRUG MATRIX | |||||
| Histamine H1 receptor | GPCR | Ki | 5.52 | PDSP | |||||
| Muscarinic acetylcholine receptor M1 | GPCR | Ki | 5.26 | PDSP | |||||
| Muscarinic acetylcholine receptor M2 | GPCR | Ki | 5.21 | PDSP | |||||
| Muscarinic acetylcholine receptor M3 | GPCR | Ki | 5.33 | PDSP | |||||
| 5-hydroxytryptamine receptor 5A | GPCR | ANTAGONIST | Ki | 7 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 1F | GPCR | ANTAGONIST | Ki | 8.20 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 1D | GPCR | ANTAGONIST | Ki | 8.90 | IUPHAR | ||||
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Cytosolic other | IC50 | 4.69 | CHEMBL | |||||
| Bcl-2-like protein 1 | Cytosolic other | IC50 | 4.65 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | AGONIST | Ki | 9.45 | SCIENTIFIC LITERATURE | ||||
| 5-hydroxytryptamine receptor 1E | GPCR | ANTAGONIST | Ki | 6.80 | IUPHAR | ||||
| Alpha-2C adrenergic receptor | GPCR | Ki | 7.05 | PDSP | |||||
| 5-hydroxytryptamine receptor 1B | GPCR | Ki | 6.97 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | IC50 | 7.27 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | Ki | 8.80 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 7 | GPCR | Ki | 7.90 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 7 | GPCR | ANTAGONIST | Ki | 7.90 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 6 | GPCR | ANTAGONIST | Ki | 6.60 | IUPHAR | ||||
| Zinc finger protein mex-5 | Cytosolic other | EC50 | 4.91 | CHEMBL | |||||
| Serotonin 2 (5-HT2) receptor | GPCR | Ki | 8.28 | CHEMBL | |||||
| Cytoplasmic zinc-finger protein | Cytosolic other | EC50 | 4.99 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 5A | GPCR | ANTAGONIST | Ki | 6.70 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 5A | GPCR | ANTAGONIST | Ki | 7.20 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 1F | GPCR | ANTAGONIST | IC50 | 7.80 | IUPHAR |
External reference:
| ID | Source |
|---|---|
| D00681 | KEGG_DRUG |
| 4018758 | VANDF |
| 4019833 | VANDF |
| C0025842 | UMLSCUI |
| CHEBI:584020 | CHEBI |
| H8J | PDB_CHEM_ID |
| CHEMBL1065 | ChEMBL_ID |
| DB00247 | DRUGBANK_ID |
| CHEMBL1200938 | ChEMBL_ID |
| D008784 | MESH_DESCRIPTOR_UI |
| 9681 | PUBCHEM_CID |
| 134 | IUPHAR_LIGAND_ID |
| 1000 | INN_ID |
| 129-49-7 | SECONDARY_CAS_RN |
| XZA9HY6Z98 | UNII |
| 203190 | RXNORM |
| 5097 | MMSL |
| d00821 | MMSL |
| 003414 | NDDF |
| 004806 | NDDF |
| 11796006 | SNOMEDCT_US |
| 20340009 | SNOMEDCT_US |
| 387044000 | SNOMEDCT_US |
| XZA9HY6Z98 | INXIGHT DRUGS |
Pharmaceutical products:
None